SCHEMBL1485073

SCHEMBL1485073

c1cc(N2CCCNCC2)ccn1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.85
NCF1 P14598 1/20 0.85
PLD1 Q13393 1/20 0.85
CHKA P35790 1/20 0.67
CHRNB2 P17787 8/20 0.65
CHRNA4 P43681 8/20 0.65
ALDH1A1 P00352 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
TSHR P16473 1/20 0.61
CYP2C19 P33261 1/20 0.61
CHRNA1 P02708 1/20 0.54
CHRNA7 P36544 1/20 0.54
ADRB1 P08588 3/20 0.53
HTR3E A5X5Y0 2/20 0.53
HTR3B O95264 2/20 0.53
HTR3A P46098 2/20 0.53
HTR3D Q70Z44 2/20 0.53
HTR3C Q8WXA8 2/20 0.53

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 SCHEMBL23932586 0.98 ADRB2 (0.81) ADRB2NCF1PLD1CHKACHRNB2
SCHEMBL894239 0.92 ADRB2 (1.00) ADRB2NCF1PLD1CHKACHRNB2
SCHEMBL74335 0.92 ADRB2 (1.00) ADRB2NCF1PLD1CHKACHRNB2
Hydrochloric Acid SCHEMBL639824 0.90 ADRB2 (0.96) ADRB2NCF1PLD1CHKACHRNB2
Bromide SCHEMBL9067259 0.88 ADRB2 (0.92) ADRB2NCF1PLD1CHKACHRNB2
Formaldehyde SCHEMBL28065716 0.86 ADRB2 (0.88) ADRB2NCF1PLD1CHKACHRNB2
SCHEMBL49273 0.81 CHKA (1.00) ADRB2NCF1PLD1CHKAALDH1A1
SCHEMBL19468905 0.81 CHKA (0.90) ADRB2NCF1PLD1CHKAALDH1A1
SCHEMBL24990328 0.81 ADRB2 (0.78) ADRB2NCF1PLD1CHKACHRNB2
Acetic Acid SCHEMBL27482977 0.80 ADRB2 (0.76) ADRB2NCF1PLD1CHKACHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483277-B1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2015-12-02 EP disclosed
US-9175009-B2 Benzoxepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2015-11-03 US disclosed
US-9157077-B2 Aminopyrimidine kinase inhibitors Jasco Pharmaceuticals, LLC (US) 2015-10-13 US disclosed
US-9157077-B2 Aminopyrimidine kinase inhibitors Jasco Pharmaceuticals, LLC (US) 2015-10-13 US disclosed
US-9157077-B2 Aminopyrimidine kinase inhibitors Jasco Pharmaceuticals, LLC (US) 2015-10-13 US disclosed
EP-2516425-B1 AMINOPYRIMIDINE KINASE INHIBITORS JASCO PHARMACEUTICALS LLC (US) 2015-09-02 EP disclosed
EP-2516425-B1 AMINOPYRIMIDINE KINASE INHIBITORS JASCO PHARMACEUTICALS LLC (US) 2015-09-02 EP disclosed
US-9073903-B2 Imidazole-2,4-dione inhibitors of casein kinase 1 Jasco Pharmaceuticals, LLC (US) 2015-07-07 US disclosed
US-9073903-B2 Imidazole-2,4-dione inhibitors of casein kinase 1 Jasco Pharmaceuticals, LLC (US) 2015-07-07 US disclosed
US-9073903-B2 Imidazole-2,4-dione inhibitors of casein kinase 1 Jasco Pharmaceuticals, LLC (US) 2015-07-07 US disclosed
US-7173025-B1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED (GB) 2007-02-06 US disclosed
US-7119086-B2 Phenylsulfonyl-1,3-dihydro-2h-indole-2-one derivatives, their preparation and their therapeutic use SANOFI-AVENTIS (FR) 2006-10-10 US disclosed
EP-1419150-B1 PHENYLSULFONYL-1,3-DIHYDRO-2H-INDOLE-2-ONE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI AVENTIS (FR) 2005-04-27 EP disclosed
US-20040180878-A1 Phenylsulfonyl-1,3-dihydro-2h-indole-2-one derivatives, their preparation and their therapeutic use SANOFI-AVENTIS (FR) 2004-09-16 US disclosed
EP-0880502-B1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ASTRAZENECA AB (SE) 2004-09-01 EP disclosed
EP-1419150-A2 PHENYLSULFONYL-1,3-DIHYDRO-2H-INDOLE-2-ONE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE Sanofi-Aventis (FR) 2004-05-19 EP disclosed
US-20030207882-A1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED 2003-11-06 US disclosed
WO-2003008407-A2 PHENYLSULFONYL-1,3-DIHYDRO-2H-INDOLE-2-ONE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI-SYNTHELABO (FR) 2003-01-30 WO disclosed
EP-0880502-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1998-12-02 EP disclosed
WO-1997028129-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1997-08-07 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 (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-20030207882-A1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents F2, SERPINC1, F11 ADRB2 664/4885NCF1 985/4885PLD1 1196/4885
US-20040180878-A1 Phenylsulfonyl-1,3-dihydro-2h-indole-2-one derivatives, their preparation and their therapeutic use AVPR2, AVPR1A, AVPR1B ADRB2 237/4885NCF1 3373/4885PLD1 1750/4885

“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.