SCHEMBL1243645

SCHEMBL1243645

CC(C)(N)c1c[c]ccc1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.34
KCNN4 O15554 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
AKT1 P31749 1/20 0.32
AKT2 P31751 1/20 0.32
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL24702 0.81 TSHR (0.35) TAAR1MAPK1
SCHEMBL27381181 0.81 KCNN4 (0.36) KCNN4
SCHEMBL5838774 0.81 ESR1 (0.38) TAAR1MAPK1
SCHEMBL7140655 0.79 TAAR1 (0.36) KCNN4TAAR1MAPTKMT2AMAPK1
SCHEMBL6634549 0.79 CYP1A2 (0.35)
SCHEMBL3608833 0.77 ALDH1A1 (0.33) MAPK1
SCHEMBL3605948 0.77 ALDH1A1 (0.33) MAPK1
SCHEMBL127320 0.77 ALDH1A1 (0.32) MAPTKMT2AMAPK1
SCHEMBL6637168 0.77 KCNN4 (0.30) KCNN4
SCHEMBL5762552 0.77 TAAR1 (0.57) TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-03-07 US claimed
EP-3371151-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS Agency For Science, Technology And Research (SG) 2018-09-12 EP claimed
WO-2017061957-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-04-13 WO claimed
EP-0946508-B1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2009-09-23 EP claimed
US-6962935-B2 Oxygen or sulfur containing heteroaromatics as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-08 US claimed
EP-1064270-B1 DISUBSTITUTED PYRAZOLINES AND TRIAZOLINES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-10-06 EP claimed
US-20040073029-A1 Oxygen or sulfur containing heteroaromatics as factor Xa inhibitors PRUITT JAMES RUSSELL (US) 2004-04-15 US claimed
US-6630468-B2 Disubstituted pyrazolines and triazolines as factor Xa inhibitors PINTO DONALD J P (US) 2003-10-07 US claimed
US-20030105105-A1 Disubstituted pyrazolines and triazolines as factor Xa inhibitors PINTO DONALD J P (US) 2003-06-05 US claimed
US-6569874-B1 Such as 2-acetylamino-4-(3-amidinophenyl)-5-((2'-amino-sulfonyl-(1,1')-biphen-4 -yl)aminocarbonyl)thiazole; for treatment of thromboembolic disorders BRISTOL-MYERS SQUIBB COMPANY 2003-05-27 US claimed
CN-1211991-A Compounds with growth hormone releasing properties NOVO NORDISK AS (DK) 1999-03-24 CN claimed
EP-0869974-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1998-10-14 EP claimed
WO-1998028282-A2 OXYGEN OR SULFUR CONTAINING 5-MEMBERED HETEROAROMATICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-07-02 WO claimed
WO-1998028269-A1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-07-02 WO claimed
WO-1997023508-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1997-07-03 WO claimed
US-5616711-A REACTING BUTENE DERIVATIVE TO AN AMIDE DERIVATIVE; USEFUL AS INTERMEDIATES FOR PRODUCING ANTIULCER DRUGS FUJIREBIO INC. (JP) 1997-04-01 US claimed
EP-0582304-A2 Methods of producing amino butene derivatives FUJIREBIO Inc. (JP) 1994-02-09 EP claimed
EP-0049173-B1 PYRIMIDONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL DERIVATIVES CONTAINING THEM SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-07-03 EP claimed
US-4385058-A HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-05-24 US claimed
EP-0049173-A2 Pyrimidone derivatives, processes for their preparation and pharmaceutical derivatives containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1982-04-07 EP 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 (3 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-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS SMYD3, SMYD2, EHMT1 PDE2A 569/4885KCNN4 4721/4885TAAR1 3566/4885
US-20040073029-A1 Oxygen or sulfur containing heteroaromatics as factor Xa inhibitors F12, XDH, F2 PDE2A 2587/4885KCNN4 1189/4885TAAR1 3895/4885
US-20030105105-A1 Disubstituted pyrazolines and triazolines as factor Xa inhibitors TFPI, F12, TFPI2 PDE2A 711/4885KCNN4 2335/4885TAAR1 3027/4885

“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.