SCHEMBL4035778

SCHEMBL4035778

O=C(NCc1ccccc1)C1CCN(c2ccccc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.70
ALDH1A1 P00352 3/20 0.68
USP2 O75604 1/20 0.68
HPGD P15428 1/20 0.68
MAPT P10636 1/20 0.63
CHRM4 P08173 1/20 0.62
HTR1A P08908 1/20 0.61
HTR1B P28222 1/20 0.61
HTR2A P28223 1/20 0.61
HTR2C P28335 1/20 0.61
HTR2B P41595 1/20 0.61
TSHR P16473 1/20 0.61
EPHX2 P34913 1/20 0.59
GLA P06280 1/20 0.56

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
SCHEMBL15808499 0.86 KDM4E (0.73) ALDH1A1MAPTCHRM4TSHR
SCHEMBL6184356 0.84 NPSR1 (0.61) NPSR1ALDH1A1USP2HPGDHTR1A
SCHEMBL2469546 0.84 ALDH1A1 (0.86) NPSR1ALDH1A1USP2HPGDMAPT
SCHEMBL29675228 0.84 ALDH1A1 (0.86) NPSR1ALDH1A1USP2HPGDMAPT
SCHEMBL13746186 0.84 NPSR1 (0.72) NPSR1ALDH1A1USP2HPGDMAPT
SCHEMBL22462992 0.84 NPSR1 (0.81) NPSR1ALDH1A1USP2HPGDMAPT
SCHEMBL18829414 0.81 ALDH1A1 (1.00) NPSR1ALDH1A1USP2HPGDHTR1A
SCHEMBL6244724 0.81 ALDH1A1 (0.93) NPSR1ALDH1A1USP2HPGDHTR1A
SCHEMBL30475533 0.80 ALDH1A1 (0.73) NPSR1ALDH1A1USP2HPGDMAPT
SCHEMBL20148016 0.80 NPSR1 (0.68) NPSR1ALDH1A1USP2HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759342-B2 Benzo[1,4]oxazin-3-one, benzo[1,4]thiazin-3-one and quinolin-2-one urotensin II receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 US disclosed
EP-1501467-A4 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-08-19 EP disclosed
US-20080039454-A1 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2008-02-14 US disclosed
EP-1501467-A2 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION Bristol-Myers Squibb Company (US) 2005-02-02 EP disclosed
WO-2003088908-A2 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-10-30 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-20080039454-A1 Urotensin II receptor antagonists UTS2R, PLAUR, NTSR2 NPSR1 55/4885ALDH1A1 4139/4885USP2 481/4885

“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.