SCHEMBL1753489

SCHEMBL1753489

O=c1cc(/C=C/c2ccccc2)ccn1-c1ccc(N2CC3(CCNCC3)C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.55
ALDH1A1 P00352 13/20 0.53
USP2 O75604 12/20 0.53
CYP2D6 P10635 12/20 0.53
CYP1A2 P05177 11/20 0.53
HSD17B10 Q99714 9/20 0.53
CYP3A4 P08684 9/20 0.53
TP53 P04637 6/20 0.53
MAPK1 P28482 6/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
HPGD P15428 5/20 0.53
HIF1A Q16665 2/20 0.47
CYP2C19 P33261 7/20 0.43
CYP2C9 P11712 5/20 0.43
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34

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
SCHEMBL10059385 0.76 SMN1; SMN2 (0.55) ALDH1A1SMN1; SMN2MEN1KMT2AHDAC3
SCHEMBL1753479 0.76 MCHR1 (0.57) TSHRCYP3A4
SCHEMBL1753668 0.76 TSHR (0.50) TSHRALDH1A1USP2CYP2D6CYP1A2
SCHEMBL19139673 0.73 TSHR (1.00) TSHRALDH1A1USP2CYP2D6CYP1A2
Hydrochloric Acid SCHEMBL30328703 0.72 TSHR (0.96) TSHRALDH1A1USP2CYP2D6CYP1A2
SCHEMBL1753724 0.71 TSHR (0.44) TSHRALDH1A1USP2CYP2D6CYP1A2
SCHEMBL1001458 0.71 HDAC3 (0.41) ALDH1A1CYP3A4SMN1; SMN2KMT2AHDAC3
SCHEMBL1001459 0.71 HDAC3 (0.41) ALDH1A1CYP3A4SMN1; SMN2KMT2AHDAC3
SCHEMBL1753499 0.69 MCHR1 (0.55) CYP3A4
SCHEMBL14372770 0.68 MCHR1 (0.45)

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-8158643-B2 Substituted diaza-spiro-pyridinone derivatives for use in MCH-1 mediated diseases JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-17 US disclosed
US-8158643-B2 Substituted diaza-spiro-pyridinone derivatives for use in MCH-1 mediated diseases JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-17 US disclosed
US-20100035909-A1 NOVEL SUBSTITUTED DIAZA-SPIRO-PYRIDINONE DERIVATIVES FOR USE IN MCH-1 MEDIATED DISEASES JANSSEN PHARMACEUTICA N.V. (BE) 2010-02-11 US disclosed
US-20100035909-A1 NOVEL SUBSTITUTED DIAZA-SPIRO-PYRIDINONE DERIVATIVES FOR USE IN MCH-1 MEDIATED DISEASES JANSSEN PHARMACEUTICA N.V. (BE) 2010-02-11 US disclosed
WO-2008068265-A1 NOVEL SUBSTITUTED DIAZA SPIRO PYRIDINONE DERIVATIVES FOR USE IN MCH-1 MEDIATED DISEASES JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 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-20100035909-A1 NOVEL SUBSTITUTED DIAZA-SPIRO-PYRIDINONE DERIVATIVES FOR USE IN MCH-1 MEDIATED DISEASES MCHR1, MCHR2, MC1R TSHR 388/4885ALDH1A1 281/4885USP2 4764/4885

“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.