SCHEMBL2173319

SCHEMBL2173319

CCN(CC)C1CCN(C(=O)c2csc(CNC(=O)COc3ccc(OC(F)(F)F)cc3)n2)C1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.40
KDM1A O60341 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
HTR2C P28335 1/20 0.36
MCHR2 Q969V1 1/20 0.36
MAPK7 Q13164 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL2174258 0.89 MCHR1 (0.40) MCHR1HTR2CMCHR2MAPK7
SCHEMBL5668892 0.85 HPGD (0.40) MCHR1HTR2CMEN1KMT2A
SCHEMBL5668886 0.85 KMT2A (0.41) MCHR1HTR2CMCHR2MEN1KMT2A
SCHEMBL5669978 0.79 CHRM2 (0.43) MCHR1
SCHEMBL4389385 0.79 TAOK1 (0.43) MCHR1
SCHEMBL4387610 0.78 KDM4E (0.42) MCHR1MEN1KMT2A
SCHEMBL5668246 0.78 L3MBTL1 (0.49) MEN1KMT2A
SCHEMBL2172250 0.77 MEN1 (0.45) MCHR1MEN1KMT2A
SCHEMBL2173905 0.76 SHMT2 (0.43) MCHR1MEN1KMT2A
SCHEMBL2171393 0.76 ALDH1A1 (0.42) MCHR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973061-B2 Anaplastic lymphoma kinase modulators and methods of use EXELIXIS, INC. (US) 2011-07-05 US claimed
US-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2009-07-23 US claimed

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-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE ALK, BCL3, MCL1 MCHR1 3465/4885KDM1A 496/4885HRH3 2190/4885

“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.