SCHEMBL4716642

SCHEMBL4716642

c1ccc(N2CCC(C3CCNCC3)CC2)nc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 1/20 0.70
ALDH1A1 P00352 6/20 0.59
HSD17B10 Q99714 4/20 0.59
HPGD P15428 3/20 0.59
CYP3A4 P08684 3/20 0.59
USP2 O75604 2/20 0.59
CYP2D6 P10635 2/20 0.59
CYP2C9 P11712 2/20 0.59
TSHR P16473 2/20 0.59
CYP2C19 P33261 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
MEN1 O00255 1/20 0.59
MAPK1 P28482 1/20 0.59
KMT2A Q03164 1/20 0.59
GPR119 Q8TDV5 2/20 0.56
CYP1A2 P05177 2/20 0.53
KDM4E B2RXH2 2/20 0.48
MAPT P10636 2/20 0.48
AVPR1A P37288 3/20 0.45
RAB9A P51151 1/20 0.44

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
SCHEMBL29400889 0.83 PLD1 (1.00) PLD1ALDH1A1HSD17B10HPGDCYP3A4
SCHEMBL7900 0.83 PLD1 (1.00) PLD1ALDH1A1HSD17B10HPGDCYP3A4
SCHEMBL893565 0.83 PLD1 (1.00) PLD1ALDH1A1HSD17B10HPGDCYP3A4
Bromide SCHEMBL11807389 0.81 PLD1 (0.96) PLD1ALDH1A1HSD17B10HPGDCYP3A4
Ammonia Solution, Strong SCHEMBL17926100 0.81 PLD1 (0.96) PLD1ALDH1A1HSD17B10HPGDCYP3A4
Piperazine SCHEMBL27920772 0.81 PLD1 (0.96) PLD1ALDH1A1HSD17B10HPGDCYP3A4
Hydrochloric Acid SCHEMBL6349557 0.81 PLD1 (0.96) PLD1ALDH1A1HSD17B10HPGDCYP3A4
Hydrochloric Acid SCHEMBL4165242 0.81 PLD1 (0.96) PLD1ALDH1A1HSD17B10HPGDCYP3A4
Hydrochloric Acid SCHEMBL27481639 0.81 PLD1 (0.96) PLD1ALDH1A1HSD17B10HPGDCYP3A4
Ammonia Solution, Strong SCHEMBL8745498 0.81 PLD1 (0.96) PLD1ALDH1A1HSD17B10HPGDCYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US claimed
EP-1877401-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM Elan Pharmaceuticals Inc. (US) 2008-01-16 EP disclosed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US disclosed
WO-2006113140-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-10-26 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 (1 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-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism BDKRB1, BDKRB2, NPBWR1 PLD1 1317/4885ALDH1A1 3073/4885HSD17B10 2492/4885

“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.