SCHEMBL5260286

SCHEMBL5260286

COc1cccc(C(=O)N(C(C)C)C2CCCCC2)c1N

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TSHR P16473 3/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
MAPK1 P28482 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL5262389 0.84 HPGD (0.56) TRPM8SMN1; SMN2GAATSHRMAPT
SCHEMBL9295465 0.78 TRPM8 (0.41) TRPM8SMN1; SMN2CYP1A2CYP3A4GAA
SCHEMBL25783145 0.75 PIN1 (0.46) TRPM8SMN1; SMN2TSHRPOLBSLC6A2
SCHEMBL9198081 0.73 TRPM8 (0.44) TRPM8CYP1A2CYP3A4GAACYP2C9
SCHEMBL4575934 0.72 KEAP1 (0.45) SMN1; SMN2CYP1A2GAACYP2C19MAPT
SCHEMBL25783129 0.71 PIN1 (0.46) TRPM8SMN1; SMN2TSHRSLC6A2SLC6A4
SCHEMBL10453097 0.71 SLC6A9 (0.51) TRPM8SMN1; SMN2GAAMAPTNPSR1
SCHEMBL9543443 0.71 TSHR (0.43) SMN1; SMN2CYP1A2CYP3A4GAACYP2C9
SCHEMBL10453321 0.70 MAPT (0.50) TRPM8TSHRMAPTNPSR1SLC6A2
SCHEMBL1491849 0.70 CTSD (0.42) SMN1; SMN2GAAMAPTMAPK1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100536839-C Urea derivatives as integrin alpha 4 antagonists ALMIRALL PRODESFARMA SA (ES) 2009-09-09 CN disclosed
US-20070238763-A1 Urea derivatives as integrin a4 antagonists LABORATORIOS ALMIRALL, S.A. 2007-10-11 US disclosed
EP-1383750-B1 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS ALMIRALL LAB (ES) 2007-09-26 EP disclosed
US-7253171-B2 Urea derivatives as integrin α4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2007-08-07 US disclosed
CN-1531425-A Urea derivatives as integrin alpha 4 antagonists ������ҩ�����޹�˾ 2004-09-22 CN disclosed
US-20040142982-A1 Urea derivatives as integrin alpha 4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2004-07-22 US 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-20040142982-A1 Urea derivatives as integrin alpha 4 antagonists ITGA4, ITGB4, ITGA1 TRPM8 1813/4885SMN1; SMN2 3692/4885CYP1A2 4218/4885
US-20070238763-A1 Urea derivatives as integrin a4 antagonists ITGB4, ITGA4, ITGB7 TRPM8 1171/4885SMN1; SMN2 4134/4885CYP1A2 4404/4885

“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.