SCHEMBL23256393

SCHEMBL23256393

O=C(O)Cc1cccc(N2CCNCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 2/20 0.60
▸ ITGA2B P08514 2/20 0.60
▸ HTR7 P34969 4/20 0.58
▸ HTR1A P08908 3/20 0.58
▸ ADRB1 P08588 4/20 0.55
▸ HTR3E A5X5Y0 2/20 0.55
▸ HTR3B O95264 2/20 0.55
▸ HTR3A P46098 2/20 0.55
▸ HTR3D Q70Z44 2/20 0.55
▸ HTR3C Q8WXA8 2/20 0.55
▸ SIGMAR1 Q99720 2/20 0.55
▸ HTR6 P50406 2/20 0.55
▸ HTR2C P28335 2/20 0.55
▸ TP53 P04637 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ THRB P10828 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ HTR2A P28223 1/20 0.55

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
SCHEMBL16880373 0.86 ITGB3 (0.64) ITGB3ITGA2BUSP2ALDH1A1HSD17B10
SCHEMBL15682617 0.83 HTR7 (0.50) ITGB3ITGA2BHTR7HTR1AADRB1
SCHEMBL5238923 0.83 HTR7 (0.50) ITGB3ITGA2BHTR7HTR1AADRB1
SCHEMBL4577325 0.83 ADRB1 (0.55) HTR7HTR1AADRB1HTR3EHTR3B
SCHEMBL6583384 0.82 ITGB3 (0.64) ITGB3ITGA2BSIGMAR1CYP2C9CYP2C19
SCHEMBL20425007 0.82 ITGB3 (0.64) ITGB3ITGA2BHTR1ASIGMAR1HTR6
SCHEMBL3204004 0.81 HTR7 (0.60) HTR7HTR1AADRB1HTR3EHTR3B
SCHEMBL4541029 0.81 ITGB3 (0.59) ITGB3ITGA2BADRB1HTR3EHTR3B
SCHEMBL28739636 0.81 ITGB3 (0.62) ITGB3ITGA2BHTR1ASIGMAR1HTR6
Hydrochloric Acid SCHEMBL6409641 0.80 HTR7 (0.58) HTR7HTR1AADRB1HTR3EHTR3B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10987351-B2 RORgamma modulators and uses thereof GENFIT (FR) 2021-04-27 — — 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-10987351-B2 RORgamma modulators and uses thereof RORB, RORC, RORA ITGB3 1439/4885ITGA2B 862/4885HTR7 4548/4885

“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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