SCHEMBL7512372

SCHEMBL7512372

O=C(NC1CCNCC1)C1CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 1.00
EPHX1 P07099 4/20 0.64
EPHX2 P34913 3/20 0.44
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
TSHR P16473 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
GABRA4 P48169 1/20 0.44
GABRE P78334 1/20 0.44
PMP22 Q01453 1/20 0.44
GABRA6 Q16445 1/20 0.44
GABRG1 Q8N1C3 1/20 0.44
GABRG3 Q99928 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10080421 0.95 POLB (0.91) POLBEPHX1EPHX2GABRPGABRD
Hydrochloric Acid SCHEMBL30473852 0.93 POLB (0.88) POLBEPHX1EPHX2GABRPGABRD
SCHEMBL9349114 0.92 POLB (0.85) POLBEPHX1EPHX2GABRPGABRD
SCHEMBL4701164 0.91 POLB (0.84) POLBEPHX1EPHX2TSHRL3MBTL1
SCHEMBL2016778 0.91 POLB (0.83) POLBEPHX1EPHX2GABRPGABRD
SCHEMBL24323730 0.90 POLB (0.81) POLBEPHX1EPHX2TSHRL3MBTL1
SCHEMBL6378905 0.90 POLB (0.81) POLBEPHX1EPHX2TSHRL3MBTL1
Hydrochloric Acid SCHEMBL26133008 0.90 POLB (0.81) POLBEPHX1EPHX2TSHRGNAI3
Hydrochloric Acid SCHEMBL1999078 0.89 POLB (0.80) POLBEPHX1EPHX2GABRPGABRD
SCHEMBL12820424 0.89 POLB (0.79) POLBEPHX1EPHX2GABRPGABRD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250043353-A1 BIOMARKERS OF RESPONSE TO SELECTIVE INHIBITORS OF AURORA A KINASE MILLENNIUM PHARM INC (US) 2025-02-06 US disclosed
US-11377453-B2 Crystal of compound having JAK-inhibiting activity NIPPON SHINYAKU CO., LTD. (JP) 2022-07-05 US disclosed
CN-108699082-B Crystals of a compound having a JAK inhibitory effect 日本新药株式会社 2021-04-09 CN disclosed
US-20210017191-A1 CRYSTAL OF COMPOUND HAVING JAK-INHIBITING ACTIVITY NIPPON SHINYAKU CO., LTD. (JP) 2021-01-21 US disclosed
EP-3424930-B1 CRYSTAL OF COMPOUND HAVING JAK-INHIBITING ACTIVITY NIPPON SHINYAKU CO LTD (JP) 2020-11-04 EP disclosed
US-10822350-B2 Crystal of compound having JAK-inhibiting activity NIPPON SHINYAKU CO., LTD. (JP) 2020-11-03 US disclosed
EP-3190116-B1 PYRAZOLOTHIAZOLE COMPOUND AND MEDICINE COMPRISING SAME NIPPON SHINYAKU CO LTD (JP) 2020-08-05 EP disclosed
CN-107108653-B Pyrazolothiazole compound and medicine 日本新药株式会社 2019-04-09 CN disclosed
US-20190048023-A1 CRYSTAL OF COMPOUND HAVING JAK-INHIBITING ACTIVITY NIPPON SHINYAKU CO., LTD. (JP) 2019-02-14 US disclosed
EP-3424930-A1 CRYSTAL OF COMPOUND HAVING JAK-INHIBITING ACTIVITY Nippon Shinyaku Co., Ltd. (JP) 2019-01-09 EP disclosed
US-20160311833-A1 NOVEL INDAZOLECARBOXAMIDES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL PREPARATIONS COMPRISING THEM AND THEIR USE FOR PRODUCING MEDICAMENTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-10-27 US disclosed
US-8067590-B2 Melanin-concentrating hormone (MCH) receptor antagonists; treating obesity, eating disorders, affective disorders, drug dependency; compounds are amino-functional pyridazin-3-one, 1H-pyridin-2-one or 3H-pyrimidin-4-one BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-29 US disclosed
EP-2383259-A1 New pyridone derivatives with MCH antagonistic activity and medicaments comprising these compounds Boehringer Ingelheim International GmbH (DE) 2011-11-02 EP disclosed
US-20080255083-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-16 US disclosed
WO-2008022979-A1 NEW PYRIDONE DERIVATIVES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-28 WO disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO disclosed
EP-1165528-A1 NOVEL MORPHOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES SANOFI-SYNTHELABO (FR) 2002-01-02 EP disclosed
EP-1150970-A1 (1-PHENACY-3-PHENYL-3-PIPERIDYLETHYL)PIPERIDINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Sanofi-Aventis (FR) 2001-11-07 EP disclosed
WO-2000058292-A1 NOVEL MORPHOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES SANOFI-SYNTHELABO (FR) 2000-10-05 WO disclosed
WO-2000047572-A1 (1-PHENACY-3-PHENYL-3-PIPERIDYLETHYL)PIPERIDINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SANOFI-SYNTHELABO (FR) 2000-08-17 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20250043353-A1 BIOMARKERS OF RESPONSE TO SELECTIVE INHIBITORS OF AURORA A KINASE WNT1, XPOT, CTNNBL1 POLB 2022/4885EPHX1 3716/4885EPHX2 4064/4885
US-11377453-B2 Crystal of compound having JAK-inhibiting activity JAK1, JAK2, JAK3 POLB 2747/4885EPHX1 3298/4885EPHX2 3674/4885
US-10822350-B2 Crystal of compound having JAK-inhibiting activity JAK1, JAK2, JAK3 POLB 2747/4885EPHX1 3298/4885EPHX2 3674/4885
US-20080255083-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 POLB 3825/4885EPHX1 3179/4885EPHX2 2217/4885
US-20210017191-A1 CRYSTAL OF COMPOUND HAVING JAK-INHIBITING ACTIVITY JAK1, JAK2, JAK3 POLB 2747/4885EPHX1 3298/4885EPHX2 3674/4885
US-20160311833-A1 NOVEL INDAZOLECARBOXAMIDES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL PREPARATIONS COMPRISING THEM AND THEIR USE FOR PRODUCING MEDICAMENTS MALT1, APC, UACA POLB 1263/4885EPHX1 2300/4885EPHX2 2065/4885
US-20190048023-A1 CRYSTAL OF COMPOUND HAVING JAK-INHIBITING ACTIVITY JAK1, JAK2, JAK3 POLB 2747/4885EPHX1 3298/4885EPHX2 3674/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.