SCHEMBL2108197

SCHEMBL2108197

COc1cc(Cl)c([C@@H](C)N[S@+]([O-])C(C)(C)C)cc1C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
CYP2D6 P10635 1/20 0.31
HTR2A P28223 1/20 0.30
SLC6A4 P31645 1/20 0.30
KCNH2 Q12809 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL2108196 1.00 LMNA (0.32) LMNACYP2D6HTR2ASLC6A4KCNH2
SCHEMBL2108263 1.00 LMNA (0.32) LMNACYP2D6HTR2ASLC6A4KCNH2
SCHEMBL2108265 1.00 LMNA (0.32) LMNACYP2D6HTR2ASLC6A4KCNH2
SCHEMBL1644908 0.76 CYP3A4 (0.31)
SCHEMBL1285918 0.74 ALDH1A1 (0.34) LMNAALDH1A1
SCHEMBL1285917 0.74 ALDH1A1 (0.34) LMNAALDH1A1
SCHEMBL30239598 0.74 CA1 (0.46) CYP2D6HTR2ASLC6A4KCNH2ALDH1A1
SCHEMBL1893420 0.73 LMNA (0.46) LMNAHTR2ASLC6A4KCNH2
SCHEMBL3851152 0.73 KMT2A (0.36) LMNAHTR2ASLC6A4KCNH2ALDH1A1
SCHEMBL13608097 0.73 KMT2A (0.36) LMNAHTR2ASLC6A4KCNH2ALDH1A1

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-8158650-B2 Substituted phenylmethyl bicyclocarboxyamide compounds PFIZER INC. (US) 2012-04-17 US disclosed
EP-2222631-B1 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER (US) 2011-08-17 EP disclosed
US-20100087480-A1 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER INC. 2010-04-08 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 (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-20100087480-A1 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS TRPV1, P2RY1, TRPV2 LMNA 1220/4885CYP2D6 2289/4885HTR2A 456/4885

“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.