SCHEMBL4965046

SCHEMBL4965046

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 7/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM5A P29375 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.33
▸ KDM5B Q9UGL1 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ HTR2A P28223 2/20 0.32
▸ HTR2C P28335 2/20 0.32
▸ CACNB4 O00305 1/20 0.32
▸ CACNA1A O00555 1/20 0.32

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
SCHEMBL4964833 0.91 HDAC1 (0.35) HDAC1HDAC10HDAC8HDAC6MEN1
SCHEMBL4965559 0.90 LMNA (0.33) HTR6MEN1KMT2APKMALDH1A1
SCHEMBL4964409 0.89 CYP2D6 (0.32) HTR6HDAC1HDAC10HDAC8HDAC6
SCHEMBL4962151 0.89 HTR2A (0.37) MEN1KMT2APKMALDH1A1KDM5B
SCHEMBL14506537 0.89 MEN1 (0.35) HDAC10HDAC6MEN1KMT2APKM
SCHEMBL4965125 0.88 CACNB4 (0.33) MEN1KMT2APKMALDH1A1CYP3A4
SCHEMBL5427942 0.87 CYP11B1 (0.40) MEN1KMT2APKMALDH1A1CYP3A4
SCHEMBL4963876 0.87 PDE1C (0.37) MEN1KMT2ACYP2D6MAPT
SCHEMBL4962762 0.87 P2RX7 (0.33) MEN1KMT2APKMALDH1A1CYP3A4
SCHEMBL4963385 0.87 MEN1 (0.36) MEN1KMT2APKMALDH1A1CYP3A4

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 HTR6 3947/4885HDAC1 626/4885HDAC10 1485/4885

“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.

Send feedback