SCHEMBL1629026

SCHEMBL1629026

[CH]1CCC2(CC1)CCNCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.39
USP2 O75604 5/20 0.39
TSHR P16473 5/20 0.38
CYP3A4 P08684 4/20 0.38
CYP2C9 P11712 4/20 0.35
ALDH1A1 P00352 4/20 0.35
CYP2C19 P33261 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HIF1A Q16665 1/20 0.35
HPGD P15428 3/20 0.34
HSD17B10 Q99714 3/20 0.34
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 2/20 0.32
OPRM1 P35372 1/20 0.32
TP53 P04637 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32

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
SCHEMBL11351132 0.84 CYP2D6 (0.41) CYP2D6USP2TSHRCYP3A4CYP2C9
SCHEMBL346839 0.84
SCHEMBL20160644 0.84 CYP2D6 (0.41) CYP2D6USP2TSHRCYP3A4CYP2C9
SCHEMBL1627509 0.83 TSHR (0.35) TSHR
SCHEMBL670988 0.83 TSHR (0.33) CYP2D6USP2TSHRCYP3A4CYP2C9
Bromide SCHEMBL2686491 0.81
SCHEMBL30637307 0.81
Hydrochloric Acid SCHEMBL2855605 0.81
SCHEMBL4798391 0.80
SCHEMBL28658 0.80 CYP2D6 (0.42) CYP2D6USP2TSHRCYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4192588-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2023-06-14 EP claimed
US-10336701-B2 Pyridin-2-one derivatives of formula (II) useful as EP3 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2019-07-02 US claimed
US-20190047960-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (II) USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-02-14 US claimed
EP-2970217-B1 NOVEL ACRYLAMIDE DERIVATIVES AS ANTIMALARIAL AGENTS IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-09 EP claimed
US-9637473-B2 Acrylamide derivatives as antimalarial agents ACTELION PHARMACEUTICALS LTD. (CH) 2017-05-02 US claimed
US-20160024050-A1 NOVEL ACRYLAMIDE DERIVATIVES AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2016-01-28 US claimed
EP-2970217-A1 NOVEL ACRYLAMIDE DERIVATIVES AS ANTIMALARIAL AGENTS Actelion Pharmaceuticals Ltd. (CH) 2016-01-20 EP claimed
WO-2014141175-A1 NOVEL ACRYLAMIDE DERIVATIVES AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2014-09-18 WO claimed
EP-2448926-A1 FLAVIN DERIVATIVES Biorelix, Inc. (US) 2012-05-09 EP claimed
EP-4192588-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2023-06-14 EP disclosed
CN-113149990-A Siderophore-dihydrofolate reductase inhibitor conjugate and application thereof 嘉圣生物医药(嘉兴)有限公司 2021-07-23 CN disclosed
EP-3347097-B1 SUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS MODULATORS OF THE KINASES JAK, FLT3 AND AURORA SUNSHINE LAKE PHARMA CO LTD (CN) 2021-02-24 EP disclosed
EP-3312164-B1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE CALITOR SCIENCES LLC (US) 2020-12-09 EP disclosed
EP-3327006-B1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE CALITOR SCIENCES LLC (US) 2020-05-20 EP disclosed
US-7517996-B2 Azole compound AJINOMOTO CO., INC. (JP) 2009-04-14 US disclosed
EP-2007733-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2008-12-31 EP disclosed
WO-2007113596-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-10-11 WO disclosed
US-20060194789-A1 Fused polycyclic compounds having a heterocyclic ring(s) and pharmaceutical use thereof AJINOMOTO CO., INC. (JP) 2006-08-31 US disclosed
US-20060194850-A1 Novel azole compound AJINOMOTO CO. INC (JP) 2006-08-31 US disclosed
EP-1683798-A1 NOVEL FUSED POLYCYCLIC COMPOUND HAVING HETEROCYCLE AND MEDICINAL USE THEREOF Ajinomoto Co., Inc. (JP) 2006-07-26 EP 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 (5 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-10336701-B2 Pyridin-2-one derivatives of formula (II) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 CYP2D6 258/4885USP2 3724/4885TSHR 568/4885
US-20190047960-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (II) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 CYP2D6 258/4885USP2 3724/4885TSHR 568/4885
US-20060194789-A1 Fused polycyclic compounds having a heterocyclic ring(s) and pharmaceutical use thereof SLC2A4, SLC2A3, SLC2A1 CYP2D6 280/4885USP2 4679/4885TSHR 692/4885
US-20060194850-A1 Novel azole compound LPAR1, LPAR2, LPAR3 CYP2D6 2076/4885USP2 3686/4885TSHR 539/4885
US-20160024050-A1 NOVEL ACRYLAMIDE DERIVATIVES AS ANTIMALARIAL AGENTS RECQL, ACR, ABCC3 CYP2D6 248/4885USP2 1232/4885TSHR 3514/4885

“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.