SCHEMBL31107153

SCHEMBL31107153

COc1cccc(NC(=O)c2cnc(N3CCC(C)CC3)c(Cl)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 2/20 0.60
▸ TAAR1 Q96RJ0 1/20 0.57
▸ JAK2 O60674 1/20 0.55
▸ MAPT P10636 2/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ HTT P42858 1/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ CXCR3 P49682 1/20 0.51
▸ KMT2A Q03164 3/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ TP53 P04637 2/20 0.50
▸ SLC2A1 P11166 1/20 0.50
▸ CHRNB2 P17787 1/20 0.50
▸ CHRNB4 P30926 1/20 0.50
▸ CHRNA3 P32297 1/20 0.50
▸ CHRNA4 P43681 1/20 0.50
▸ KCNQ3 O43525 1/20 0.49

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
SCHEMBL13930706 1.00 P2RY12 (0.60) P2RY12TAAR1JAK2MAPTKDM4E
SCHEMBL3647806 0.90 P2RY12 (0.64) P2RY12JAK2MAPTKDM4EHTT
SCHEMBL31107158 0.89 P2RY12 (0.63) P2RY12JAK2MAPTKDM4EHTT
SCHEMBL13930702 0.89 P2RY12 (0.63) P2RY12JAK2MAPTKDM4EHTT
SCHEMBL13930613 0.88 SLC2A1 (0.62) P2RY12MAPTSMN1; SMN2CXCR3SLC2A1
SCHEMBL31107155 0.88 SLC2A1 (0.62) P2RY12MAPTSMN1; SMN2CXCR3SLC2A1
SCHEMBL13930693 0.86 TAAR1 (0.54) TAAR1JAK2MAPTKDM4EHTT
SCHEMBL31107156 0.86 TAAR1 (0.54) TAAR1JAK2MAPTKDM4EHTT
SCHEMBL3688898 0.86 P2RY12 (0.59) P2RY12JAK2MAPTKDM4EHTT
SCHEMBL3642449 0.79 MAPT (0.67) JAK2MAPTKDM4EHTTSMN1; SMN2

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-20240307361-A1 METHOD FOR DIAGNOSING AND TREATING IRRITABLE BOWEL SYNDROME Centre for Chinese Herbal Medicine Drug Development Limited (CN) 2024-09-19 — — US disclosed
US-20240295566-A1 METHOD FOR DIAGNOSING AND TREATING METABOLIC DISORDERS Centre for Chinese Herbal Medicine Drug Development Limited (CN) 2024-09-05 — — 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-20240307361-A1 METHOD FOR DIAGNOSING AND TREATING IRRITABLE BOWEL SYNDROME HRH4, VIPR1, TAAR1 P2RY12 1169/4885TAAR1 3/4885JAK2 3810/4885
US-20240295566-A1 METHOD FOR DIAGNOSING AND TREATING METABOLIC DISORDERS TPH1, GPR119, TAAR1 P2RY12 1964/4885TAAR1 3/4885JAK2 3545/4885

“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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