SCHEMBL31699802

SCHEMBL31699802

CCOC(=O)c1nc(C(F)(F)F)n2c1CNCC2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ DPP4 P27487 1/20 0.36
▸ KMT2A Q03164 4/20 0.34
▸ KDM4E B2RXH2 4/20 0.33
▸ HPGD P15428 3/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ PLAT P00750 1/20 0.33
▸ MAPT P10636 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ADORA1 P30542 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
Hydrochloric Acid SCHEMBL31699701 0.91 ALDH1A1 (0.39) ALDH1A1KMT2AKDM4EHPGDCYP1A2
SCHEMBL10025558 0.86 DPP4 (0.43) ALDH1A1DPP4KMT2AKDM4EMEN1
SCHEMBL2858951 0.82 HTR2A (0.32) DPP4
SCHEMBL26684195 0.81 TARBP2 (0.37) ALDH1A1KMT2AKDM4ECYP1A2MAPT
SCHEMBL10025673 0.81 OPRD1 (0.33) ALDH1A1DPP4KMT2ACYP1A2PDE4A
SCHEMBL14955967 0.80 HTR2A (0.33) —
SCHEMBL10025712 0.79 SCN9A (0.33) DPP4
SCHEMBL10025682 0.79 CFTR (0.33) DPP4
Hydrochloric Acid SCHEMBL31699217 0.78 KMT2A (0.34) ALDH1A1KMT2AKDM4EHPGDCYP1A2
Hydrochloric Acid SCHEMBL14955894 0.78 MGLL (0.31) —

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-20250320213-A1 Nitrogen-Containing Heterocyclic Compounds PFIZER INC. (US) 2025-10-16 — — US disclosed
WO-2025215579-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2025-10-16 — — 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-20250320213-A1 Nitrogen-Containing Heterocyclic Compounds HRH4, HNMT, NNT ALDH1A1 2633/4885DPP4 1881/4885KMT2A 989/4885

“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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