SCHEMBL3555656

SCHEMBL3555656

C[C@@H]1CN(c2ccc([C@H](C)N(C(=O)O)C(C)(C)C)cc2)CCN1C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 14/20 0.40
ADRA2C P18825 14/20 0.40
ADRA2B P18089 13/20 0.40
CHRM1 P11229 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
RORC P51449 3/20 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
SCHEMBL2427683 0.84 RORC (0.46) ADRA2CESR2RORC
SCHEMBL3555287 0.80 CHKA (0.46) RORC
SCHEMBL3552127 0.79 MCHR1 (0.47) RORC
SCHEMBL3554859 0.76 MAPK1 (0.44) RORC
SCHEMBL24352439 0.76 ADRA2A (0.43) ADRA2AADRA2CADRA2BESR1ESR2
SCHEMBL29310072 0.76 ADRA2A (0.43) ADRA2AADRA2CADRA2BESR1ESR2
SCHEMBL25839419 0.76 ADRA2A (0.43) ADRA2AADRA2CADRA2BESR1ESR2
SCHEMBL2199776 0.74 CHRNB4 (0.39)
SCHEMBL1921934 0.74 USP2 (0.58) ADRA2AADRA2CADRA2BESR1ESR2
SCHEMBL3549591 0.73 ACACB (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718801-B2 Substituted imidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-05-18 US disclosed
US-20080070894-A1 Novel Substituted Imidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1790650-A1 NOVEL SUBSTITUTED IMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP 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-20080070894-A1 Novel Substituted Imidazole Derivative PLK1, CDK1, CDK11A ADRA2A 4530/4885ADRA2C 4300/4885ADRA2B 4238/4885

“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.