SCHEMBL4962151

SCHEMBL4962151

CN(CCc1cn(Cc2ccc(F)cc2)c2cnc3c(c12)CCN(O)C3=O)CC1CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.37
▸ HTR2C P28335 2/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ PDE1A P54750 1/20 0.32
▸ PDE1B Q01064 1/20 0.32
▸ PDE1C Q14123 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.31
▸ REN P00797 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.30
▸ ALOX12 P18054 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ KDM6B O15054 1/20 0.30
▸ KDM4A O75164 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
SCHEMBL4965064 0.92 REN (0.34) PDE1APDE1BPDE1CRXFP1REN
SCHEMBL5430713 0.90 PDE1C (0.37) PDE1APDE1BPDE1CKCNH2MEN1
SCHEMBL4965046 0.89 HTR6 (0.37) HTR2AHTR2CPKMMEN1KMT2A
SCHEMBL4965559 0.88 LMNA (0.33) PKMMEN1KMT2AALDH1A1CYP3A4
SCHEMBL4964409 0.87 CYP2D6 (0.32) KCNH2PKMMEN1KMT2AALDH1A1
SCHEMBL14541908 0.86 REN (0.34) PDE1APDE1BPDE1CRENKCNH2
SCHEMBL4963876 0.85 PDE1C (0.37) PDE1APDE1BPDE1CRXFP1REN
SCHEMBL4964833 0.84 HDAC1 (0.35) RENKCNH2PKMMEN1KMT2A
SCHEMBL14506537 0.84 MEN1 (0.35) RXFP1KCNH2PKMMEN1KMT2A
SCHEMBL4962762 0.84 P2RX7 (0.33) RENKCNH2PKMMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 HTR2A 4678/4885HTR2C 4530/4885HTR2B 4199/4885

“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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