SCHEMBL9891768

SCHEMBL9891768

COc1ccc(N2C(=O)CCC2C(C)C)cc1F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.40
KMT2A Q03164 1/20 0.39
ACACB O00763 1/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HTR2C P28335 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
UGCG Q16739 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM1A O60341 2/20 0.36

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
SCHEMBL24416849 0.93 LMNA (0.41) HTR7KMT2AACACBMAPTLMNA
SCHEMBL9891772 0.85 BPTF (0.39) TSHRTP53
SCHEMBL9891763 0.83 CCR1 (0.43) MAPTTP53SMN1; SMN2
SCHEMBL16480418 0.83 HTR7 (0.43) HTR7KMT2AMAPTLMNAHPGD
SCHEMBL9891766 0.82 IDO1 (0.38) HTR7KMT2A
SCHEMBL9891773 0.80 HDAC1 (0.36)
SCHEMBL9891774 0.79 HDAC6 (0.32)
SCHEMBL9891760 0.79 KMT2A (0.45) HTR7KMT2AMAPTLMNAHPGD
SCHEMBL9106399 0.79 KMT2A (0.48) HTR7KMT2AACACBLMNAHPGD
SCHEMBL9106403 0.79 KMT2A (0.48) HTR7KMT2AACACBLMNAHPGD

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-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 HTR7 314/4885KMT2A 3551/4885ACACB 1735/4885

“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.