Sugi Predict

Sugi Predict / Compounds / SCHEMBL426469

SCHEMBL426469

SCHEMBL426469

O=C(Cl)N1CCN(c2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.65
▸ USP2 O75604 2/20 0.65
▸ TSHR P16473 2/20 0.65
▸ MEN1 O00255 2/20 0.65
▸ KMT2A Q03164 2/20 0.65
▸ LMNA P02545 5/20 0.61
▸ MAPT P10636 4/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ AKR1C3 P42330 1/20 0.61
▸ MAPK1 P28482 2/20 0.59
▸ POLB P06746 2/20 0.57
▸ SLC6A7 Q99884 1/20 0.57
▸ SIGMAR1 Q99720 1/20 0.57
▸ HTR1A P08908 1/20 0.56
▸ HTR7 P34969 1/20 0.56
▸ HTT P42858 1/20 0.56

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
SCHEMBL631962 0.83 ALDH1A1 (0.69) ALDH1A1USP2TSHRMEN1KMT2A
SCHEMBL27792690 0.83 AKR1C3 (0.82) ALDH1A1USP2TSHRMEN1KMT2A
SCHEMBL19059406 0.82 TDP1 (0.62) ALDH1A1USP2KMT2ALMNAMAPT
SCHEMBL1423584 0.82 AKR1C3 (0.67) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL5537738 0.82 HTR1A (0.73) ALDH1A1MEN1KMT2AAKR1C3HTR1A
Hydrochloric Acid SCHEMBL5492248 0.82 ALDH1A1 (0.67) ALDH1A1USP2TSHRMEN1KMT2A
SCHEMBL3180448 0.81 ALDH1A1 (0.61) ALDH1A1USP2TSHRMEN1KMT2A
SCHEMBL1422671 0.81 CA12 (0.67) ALDH1A1USP2TSHRMEN1KMT2A
SCHEMBL15244587 0.80 ALDH1A1 (0.65) ALDH1A1USP2TSHRMEN1KMT2A
SCHEMBL772728 0.80 ALDH1A1 (0.65) ALDH1A1USP2TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2220060-B1 TETRAHYDROBENZOTHIAZOLE DERIVATIVES MOTAC NEUROSCIENCE LTD (GB) 2016-09-14 — — EP disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 — — US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 — — US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 — — US disclosed
CN-105399731-A Pharmaceutical Compounds BIAL PORTELA & CA SA 2016-03-16 — — CN disclosed
CN-102333568-B Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-01-20 — — CN disclosed
EP-2411363-B1 SUBSTITUTED PIPERIDINES AS PAR-1 ANTAGONISTS BAYER IP GMBH (DE) 2015-10-07 — — EP disclosed
US-20150183773-A1 Substituted piperidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-02 — — US disclosed
US-8987248-B2 Substituted piperidines as Par-1 antagonists BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 — — US disclosed
EP-1937648-B1 DIACYL INDAZOL DERIVATIVES AS LIPASE AND PHOSPHOLIPASE INHIBITORS SANOFI SA (FR) 2014-11-26 — — EP disclosed
CN-101547926-A 4, 5, 6, 7-tetrahydro-thieno [3, 2-c] pyridine derivatives as H3 modulators HOFFMANN LA ROCHE (CH) 2009-09-30 — — CN disclosed
WO-2009056805-A1 MEDICAMENTS MOTAC NEUROSCIENCE LIMITED (GB) 2009-05-07 — — WO disclosed
US-20080287448-A1 Diacyl indazole derivatives as lipase and phospholipase inhibitors SANOFI-AVENTIS (FR) 2008-11-20 — — US disclosed
CN-101282939-A Diacyl indazole derivatives as lipase and phospholipase inhibitors SANOFI AVENTIS (FR) 2008-10-08 — — CN disclosed
EP-1937648-A1 DIACYL INDAZOL DERIVATIVES AS LIPASE AND PHOSPHOLIPASE INHIBITORS sanofi-aventis (FR) 2008-07-02 — — EP disclosed
WO-2007042178-A1 DIACYL INDAZOL DERIVATIVES AS LIPASE AND PHOSPHOLIPASE INHIBITORS SANOFI-AVENTIS (DE) 2007-04-19 — — WO disclosed
US-5789412-A 5-HYDROXYTRYPTAMINE (SEROTONIN) RECEPTOR ANTAGONISTS FOR THE CURATIVE OR PREVENTIVE TREATMENT OF PAIN, DEPRESSION, OBSESSIVE COMPULSIVE DISORDERS, ANXIETY OR PANIC ATTACK, OR CANCER PIERRE FABRE MEDICAMENT (FR) 1998-08-04 — — US disclosed
EP-0773937-A1 NOVEL ARYL PIPERAZINE-DERIVED PIPERAZIDE DERIVATIVES, METHODS FOR THEIR PREPARATION, THEIR USE AS DRUGS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME PIERRE FABRE MEDICAMENT (FR) 1997-05-21 — — EP disclosed
WO-1996002525-A1 NOVEL ARYL PIPERAZINE-DERIVED PIPERAZIDE DERIVATIVES, METHODS FOR THEIR PREPARATION, THEIR USE AS DRUGS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME PIERRE FABRE MEDICAMENT (FR) 1996-02-01 — — WO disclosed
US-4420481-A RHEUMATOID ARTHRITIS MITSUITOATSU CHEMICALS INC. (JP) 1983-12-13 — — US 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 (2 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-20080287448-A1 Diacyl indazole derivatives as lipase and phospholipase inhibitors PNLIP, DAGLA, MGLL ALDH1A1 959/4885USP2 502/4885TSHR 3175/4885
US-20150183773-A1 Substituted piperidines VHL, PIR, PIGO ALDH1A1 402/4885USP2 3048/4885TSHR 3767/4885

“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.