SCHEMBL3315322

SCHEMBL3315322

CCOC(=O)C1(C)CCN(c2ccncc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 5/20 0.51
TSHR P16473 5/20 0.51
HIF1A Q16665 2/20 0.51
CYP3A4 P08684 7/20 0.51
CYP2D6 P10635 7/20 0.51
ITGB3 P05106 5/20 0.47
ITGA2B P08514 5/20 0.47
F10 P00742 2/20 0.47
CYP2C19 P33261 2/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 2/20 0.45
MAPK1 P28482 1/20 0.44

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
SCHEMBL28704750 0.86 OPRM1 (0.55) CYP3A4CYP2C19ALDH1A1CYP1A2MAPK1
SCHEMBL13624223 0.83 MAPT (0.49) TSHRCYP3A4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL6189372 0.83 F10 (0.54) CYP2C9TSHRHIF1ACYP3A4CYP2D6
SCHEMBL15260220 0.82 MAPT (0.43) F10MAPK1
SCHEMBL2946650 0.82 USP2 (0.48) F10ALDH1A1SMN1; SMN2KDM4E
SCHEMBL6978939 0.82 GPR119 (0.44) F10ALDH1A1KDM4E
Bromide SCHEMBL6189365 0.82 F10 (0.53) CYP2C9TSHRHIF1ACYP3A4CYP2D6
SCHEMBL981749 0.81 MAPT (0.44) CYP2C9CYP2C19ALDH1A1SMN1; SMN2KDM4E
SCHEMBL13624217 0.80 MAPT (0.67) ALDH1A1SMN1; SMN2
SCHEMBL29514514 0.79 CYP2C9 (0.59) CYP2C9TSHRHIF1ACYP3A4CYP2D6

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
CN-114181205-A Pyrazolopyridine compound or salt thereof, and preparation method and application thereof 上海辉启生物医药科技有限公司 2022-03-15 CN disclosed
US-8227506-B2 Benzamidine compound AJINOMOTO., INC. (JP) 2012-07-24 US disclosed
US-20100105731-A2 NOVEL BENZAMIDINE COMPOUND AJINOMOTO CO., INC. (JP) 2010-04-29 US disclosed
US-20080021065-A1 NOVEL BENZAMIDINE COMPOUND AJINOMOTO CO. INC (JP) 2008-01-24 US disclosed
EP-1847527-A1 NOVEL BENZAMIDINE COMPOUND Ajinomoto Co., Inc. (JP) 2007-10-24 EP 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-20100105731-A2 NOVEL BENZAMIDINE COMPOUND SERPINC1, F11, TFPI CYP2C9 460/4885TSHR 1617/4885HIF1A 4623/4885
US-20080021065-A1 NOVEL BENZAMIDINE COMPOUND SERPINC1, F11, TFPI CYP2C9 460/4885TSHR 1617/4885HIF1A 4623/4885

“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.