SCHEMBL5430713

SCHEMBL5430713

CN(CCCc1cn(Cc2ccc(F)cc2)c2cnc3c(c12)CCN(O)C3=O)CC1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE1C Q14123 6/20 0.37
▸ PDE1A P54750 5/20 0.37
▸ PDE1B Q01064 5/20 0.37
▸ CYP2D6 P10635 2/20 0.35
▸ CHRM1 P11229 2/20 0.35
▸ HRH1 P35367 2/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ KMT2A Q03164 4/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.32
▸ POLB P06746 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ PDE9A O76083 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ SCN9A Q15858 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
SCHEMBL4962151 0.90 HTR2A (0.37) PDE1CPDE1APDE1BCYP2D6KCNH2
SCHEMBL4963876 0.87 PDE1C (0.37) PDE1CPDE1APDE1BCYP2D6CHRM1
SCHEMBL14506535 0.86 MEN1 (0.35) PDE1CPDE1APDE1BKMT2AMEN1
SCHEMBL4965064 0.86 REN (0.34) PDE1CPDE1APDE1BCHRM1KCNH2
SCHEMBL5424794 0.84 MEN1 (0.36) PDE1CPDE1APDE1BKMT2AMEN1
SCHEMBL4965125 0.83 CACNB4 (0.33) CYP2D6KCNH2KMT2AMEN1POLB
SCHEMBL4967431 0.83 KMT2A (0.40) CYP2D6KMT2AMEN1POLBALDH1A1
SCHEMBL4965046 0.83 HTR6 (0.37) CYP2D6KMT2AMEN1ALDH1A1MAPT
SCHEMBL4962863 0.83 GNRHR (0.33) KMT2AKDM4EMAPT
SCHEMBL5427803 0.82 MEN1 (0.37) PDE1CPDE1APDE1BCYP2D6HRH1

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 4 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
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

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 PDE1C 3563/4885PDE1A 3049/4885PDE1B 3306/4885

“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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