Sugi Predict

Sugi Predict / Compounds / SCHEMBL631962

SCHEMBL631962

SCHEMBL631962

O=C(O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.69
▸ USP2 O75604 3/20 0.69
▸ MEN1 O00255 3/20 0.69
▸ KMT2A Q03164 3/20 0.69
▸ TSHR P16473 2/20 0.69
▸ MAPT P10636 5/20 0.65
▸ LMNA P02545 3/20 0.65
▸ CYP2C9 P11712 2/20 0.65
▸ CYP2C19 P33261 2/20 0.65
▸ AKR1C3 P42330 2/20 0.65
▸ NPSR1 Q6W5P4 1/20 0.65
▸ MAPK1 P28482 4/20 0.62
▸ POLB P06746 3/20 0.61
▸ SLC6A7 Q99884 1/20 0.61
▸ HTT P42858 2/20 0.59
▸ HTR1A P08908 1/20 0.59
▸ HTR7 P34969 1/20 0.59
▸ PHGDH O43175 1/20 0.58
▸ MGLL Q99685 1/20 0.58
▸ HCRTR1 O43613 1/20 0.57

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
Hydrochloric Acid SCHEMBL5492248 0.98 ALDH1A1 (0.67) ALDH1A1USP2MEN1KMT2ATSHR
SCHEMBL5239356 0.88 MEN1 (0.68) ALDH1A1USP2MEN1KMT2ATSHR
SCHEMBL27792690 0.87 AKR1C3 (0.82) ALDH1A1USP2MEN1KMT2ATSHR
SCHEMBL28829406 0.86 ALDH1A1 (0.58) ALDH1A1USP2MEN1KMT2ATSHR
SCHEMBL5238969 0.84 USP2 (0.59) ALDH1A1USP2MEN1KMT2ATSHR
SCHEMBL3867043 0.83 HTR1A (0.67) ALDH1A1USP2MEN1KMT2ATSHR
SCHEMBL15244587 0.83 ALDH1A1 (0.65) ALDH1A1USP2MEN1KMT2ATSHR
SCHEMBL426469 0.83 ALDH1A1 (0.65) ALDH1A1USP2MEN1KMT2ATSHR
SCHEMBL9410779 0.83 ALDH1A1 (0.65) ALDH1A1USP2MEN1KMT2ATSHR
SCHEMBL772728 0.83 ALDH1A1 (0.65) ALDH1A1USP2MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103649053-B Aminomethyl quinolone compounds 霍夫曼-拉罗奇有限公司 2017-07-04 — — CN claimed
EP-2220060-B1 TETRAHYDROBENZOTHIAZOLE DERIVATIVES MOTAC NEUROSCIENCE LTD (GB) 2016-09-14 — — EP claimed
EP-2731932-B1 AMINOMETHYL QUINOLONE COMPOUNDS HOFFMANN LA ROCHE (CH) 2015-12-30 — — EP claimed
EP-2731932-A1 AMINOMETHYL QUINOLONE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2014-05-21 — — EP claimed
CN-103649053-A Aminomethyl quinolone compounds HOFFMANN LA ROCHE 2014-03-19 — — CN claimed
CN-101384581-B Benzoyl-piperidine derivatives as 5HT2/D3 modulators HOFFMANN LA ROCHE 2013-09-18 — — CN claimed
US-8501732-B2 Aminomethyl quinolone compounds HOFFMANN-LA ROCHE INC. (US) 2013-08-06 — — US claimed
US-8415350-B2 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HOFFMANN-LA ROCHE INC. (US) 2013-04-09 — — US claimed
US-20130018043-A1 AMINOMETHYL QUINOLONE COMPOUNDS BILOTTA JOSEPH A (US) 2013-01-17 — — US claimed
WO-2013007676-A1 AMINOMETHYL QUINOLONE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2013-01-17 — — WO claimed
WO-2005023818-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC BIOTECH AG (DE) 2005-03-17 — — WO claimed
US-20040229893-A1 Substituted benzothiazole amide derivatives FLOHR ALEXANDER (CH) 2004-11-18 — — US claimed
EP-1455792-A1 UREAS OF 2-AMINOBENZOTHIAZOLES AS ADENOSINE MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-15 — — EP claimed
US-20030149036-A1 Substituted benzothiazole amide derivatives HOFFMAN-LA ROCHE INC. 2003-08-07 — — US claimed
US-20030119827-A1 Novel nitriles useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-06-26 — — US claimed
WO-2003049741-A1 UREAS OF 2-AMINOBENZOTHIAZOLES AS ADENOSINE MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-19 — — WO claimed
WO-2002100849-A2 NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-12-19 — — WO claimed
US-6458781-B1 BLOCKERS CALCIUM CHANNEL ANTAGONISTS FOR STROKES, BRAIN DISORDERS WARNER-LAMBERT COMPANY 2002-10-01 — — US claimed
WO-1999055688-A1 SUBSTITUTED DIARYLALKYL AMIDES AS CALCIUM CHANNEL ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-11-04 — — WO claimed
US-5530121-A IMMUNOSUPPRESSANTS, ANTIINFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-06-25 — — US claimed

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

For each of this compound's patents that has machine-readable text (4 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-20130018043-A1 AMINOMETHYL QUINOLONE COMPOUNDS MAP3K1, MAP3K11, MAP3K5 ALDH1A1 3178/4885USP2 1943/4885MEN1 4483/4885
US-20030149036-A1 Substituted benzothiazole amide derivatives ADORA2A, ADORA1, ADORA2B ALDH1A1 512/4885USP2 3780/4885MEN1 4224/4885
US-20040229893-A1 Substituted benzothiazole amide derivatives ADORA2A, ADORA1, ADORA2B ALDH1A1 512/4885USP2 3780/4885MEN1 4224/4885
US-20030119827-A1 Novel nitriles useful as reversible inhibitors of cysteine proteases NOS1, CTSK, CTSS ALDH1A1 3665/4885USP2 141/4885MEN1 2101/4885

“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.