SCHEMBL4964523

SCHEMBL4964523

CN(C)C(=O)[C@@H]1CCCN1Cc1cn(Cc2ccc(F)cc2)c2cnc3c(c12)CCN(O)C3=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.40
▸ MCHR1 Q99705 1/20 0.40
▸ EGFR P00533 1/20 0.35
▸ GPBAR1 Q8TDU6 2/20 0.34
▸ SCN3A Q9NY46 1/20 0.33
▸ REN P00797 1/20 0.33
▸ CYP2D6 P10635 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ CCR1 P32246 2/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ BMPR1A P36894 4/20 0.31
▸ ACVRL1 P37023 4/20 0.31
▸ ACVR1 Q04771 4/20 0.31
▸ PKM P14618 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ KAT2B Q92831 1/20 0.31
▸ CYP46A1 Q9Y6A2 1/20 0.31
▸ GRM2 Q14416 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
SCHEMBL4964242 0.90 SCN3A (0.43) EGFRSCN3ARXFP1MAOAMAOB
SCHEMBL4964833 0.82 HDAC1 (0.35) KCNH2MCHR1RENCYP2D6PKM
SCHEMBL5429824 0.82 CHRM1 (0.34) CYP2D6RXFP1PKM
SCHEMBL4964658 0.81 CACNA1B (0.44) MCHR1CYP2D6
SCHEMBL4965046 0.81 HTR6 (0.37) MCHR1CYP2D6PKM
SCHEMBL4964779 0.80 CACNA1B (0.46) MCHR1
SCHEMBL1198652 0.80 CACNA1B (0.46) MCHR1
SCHEMBL4965064 0.80 REN (0.34) KCNH2RENRXFP1PKM
SCHEMBL4962978 0.80 HTR2A (0.36) —
SCHEMBL13311238 0.80 KCNH2 (0.39) KCNH2MCHR1EGFRGPBAR1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. 2007-05-03 — — US claimed
EP-1934220-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME Pfizer Products Incorporated (US) 2008-06-25 — — EP disclosed
US-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. 2007-05-03 — — US disclosed
US-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. 2007-05-03 — — US disclosed
US-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. 2007-05-03 — — US disclosed
WO-2007042883-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-19 — — WO disclosed
WO-2007042883-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-19 — — WO 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-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, INTS9, TYMP KCNH2 4108/4885MCHR1 4679/4885EGFR 2606/4885

“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.

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