SCHEMBL223203

SCHEMBL223203

NC1CCN(c2ccncc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.59
ADRB2 P07550 1/20 0.53
NCF1 P14598 1/20 0.53
PLD1 Q13393 1/20 0.53
ROCK2 O75116 1/20 0.48
ROCK1 Q13464 1/20 0.48
HRH3 Q9Y5N1 3/20 0.47
KDM1A O60341 1/20 0.45
MAOB P27338 1/20 0.45
DPP4 P27487 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
TSHR P16473 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
HTR3E A5X5Y0 1/20 0.43
MEN1 O00255 1/20 0.43
HTR3B O95264 1/20 0.43
ALOX15 P16050 1/20 0.43

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 SCHEMBL1060872 0.98 CHKA (0.57) CHKAADRB2NCF1PLD1ROCK2
Hydrochloric Acid SCHEMBL784685 0.98 CHKA (0.57) CHKAADRB2NCF1PLD1ROCK2
Hydrochloric Acid SCHEMBL7328290 0.96 CHKA (0.55) CHKAADRB2NCF1PLD1ROCK2
SCHEMBL14275562 0.88 CHKA (0.50) CHKAADRB2NCF1PLD1ROCK2
Trifluoroacetic Acid SCHEMBL1456945 0.84 DPP4 (0.59) CHKAHRH3DPP4DPP8DPP9
SCHEMBL4711666 0.81 CHKA (0.61) CHKAADRB2NCF1PLD1HRH3
Isophthalic Acid SCHEMBL27902625 0.81 KMO (0.49) DPP4DPP8DPP9DPP7TSHR
Taurine SCHEMBL4593145 0.81 F10 (0.41) CHKAADRB2NCF1PLD1HRH3
SCHEMBL28112415 0.79 CHKA (0.80) CHKAADRB2NCF1PLD1TSHR
SCHEMBL206718 0.79 CHKA (0.59) CHKAADRB2NCF1PLD1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021076448-A1 SOMATOSTATIN MODULATORS FOR TREATING PITUITARY ADENOMAS Crinetics Pharmaceuticals, Inc. (US) 2021-04-22 WO claimed
EP-1451185-B1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2014-08-06 EP claimed
JP-4664592-B2 2011-04-06 JP claimed
US-20100010045-A1 PYRAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-01-14 US claimed
EP-1581523-B1 PYRAZOLE-DERIVATIVES AS FACTOR XA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2009-09-30 EP claimed
US-20080306056-A1 PYRAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-11 US claimed
EP-1633348-B1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2008-10-08 EP claimed
US-7432379-B2 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. (US) 2008-10-07 US claimed
EP-1569927-B1 IMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2008-07-16 EP claimed
EP-1877401-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM Elan Pharmaceuticals Inc. (US) 2008-01-16 EP claimed
EP-1479678-A1 Pyrazole-derivatives as factor xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2004-11-24 EP claimed
WO-2004098589-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARMACEUTICALS, INC. (US) 2004-11-18 WO claimed
US-20040204406-A1 Pyrazole-derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-14 US claimed
US-20040171604-A1 Imidazole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-09-02 US claimed
EP-1451185-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2004-09-01 EP claimed
WO-2004056815-A1 PYRAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-08 WO claimed
EP-1433788-A1 Pyrazole-derivatives as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2004-06-30 EP claimed
WO-2004050636-A2 IMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-17 WO claimed
US-20030199689-A1 New indole derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-10-23 US claimed
WO-2003044014-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-30 WO 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 (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-20080306056-A1 PYRAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS F12, F5, F11 CHKA 1533/4885ADRB2 1530/4885NCF1 3212/4885
US-20040204406-A1 Pyrazole-derivatives as factor Xa inhibitors F11, F5, F12 CHKA 1787/4885ADRB2 1512/4885NCF1 2589/4885
US-20100010045-A1 PYRAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS F12, F5, F11 CHKA 1705/4885ADRB2 1782/4885NCF1 2626/4885
US-20040171604-A1 Imidazole derivatives as factor Xa inhibitors TFPI, F11, TFPI2 CHKA 1918/4885ADRB2 2712/4885NCF1 361/4885
US-20030199689-A1 New indole derivatives as factor Xa inhibitors F5, F12, F2 CHKA 1693/4885ADRB2 586/4885NCF1 3069/4885

“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.