SCHEMBL22736908

SCHEMBL22736908

Nc1ncc(C2CCN(c3ccccc3-c3ccc(F)cc3)CC2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 3/20 0.49
▸ DHFR P00374 2/20 0.42
▸ FEN1 P39748 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HTR1A P08908 2/20 0.37
▸ CYP11B2 P19099 2/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR5A P47898 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ MLYCD O95822 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ KDM4E B2RXH2 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
SCHEMBL20522342 0.81 HTR7 (0.49) HTR7DHFRFEN1L3MBTL1NPC1
SCHEMBL20522305 0.70 HTR2B (0.52) L3MBTL1RAB9AHTR2AKDM4E
SCHEMBL20522394 0.70 HTR7 (0.58) HTR7FEN1HTR1AHTR2AHTR5A
SCHEMBL941809 0.67 HTR7 (1.00) HTR7CYP2C19HTR1AHTR2AHTR5A
SCHEMBL342315 0.67 — —
SCHEMBL15244548 0.66 NOS1 (0.39) SMN1; SMN2
SCHEMBL13521268 0.66 NOS1 (0.35) ALDH1A1HPGD
SCHEMBL27500236 0.66 CYP1A2 (0.39) HTR7DHFRL3MBTL1NPC1CYP1A2
SCHEMBL3200198 0.64 NOS1 (0.41) SMN1; SMN2ALDH1A1HPGD
SCHEMBL943556 0.62 TDO2 (0.40) CYP11B2ALDH1A1HPGD

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-11339152-B2 Inhibitors VIVORYON THERAPEUTICS N.V. 2022-05-24 — — US disclosed
US-20200377493-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2020-12-03 — — 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 (2 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-20200377493-A1 NOVEL INHIBITORS GLUL, GLS, QPCT HTR7 3888/4885DHFR 397/4885FEN1 3414/4885
US-11339152-B2 Inhibitors GLUL, QPCT, GLS HTR7 3798/4885DHFR 285/4885FEN1 3301/4885

“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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