SCHEMBL18003252

SCHEMBL18003252

N#Cc1ccc2ccn(CC3CCC3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
TSHR P16473 4/20 0.56
HSD17B10 Q99714 4/20 0.56
KDM4E B2RXH2 4/20 0.56
HPGD P15428 3/20 0.56
USP2 O75604 2/20 0.56
POLB P06746 1/20 0.56
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GLA P06280 1/20 0.45
HTT P42858 1/20 0.45
KDM1A O60341 7/20 0.45
PRMT5 O14744 1/20 0.45
HTR7 P34969 1/20 0.41
KDM2B Q8NHM5 1/20 0.41
CDC7 O00311 3/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
CDK2 P24941 1/20 0.40

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
SCHEMBL18003080 0.96 ALDH1A1 (0.61) ALDH1A1TSHRHSD17B10KDM4EHPGD
SCHEMBL4824315 0.89 KDM1A (0.54) ALDH1A1TSHRHSD17B10KDM4EHPGD
SCHEMBL3135567 0.84 NPY5R (0.47) ALDH1A1TSHRHSD17B10KDM4EHPGD
SCHEMBL6993098 0.83 KDM1A (0.60) ALDH1A1TSHRHSD17B10KDM4EHPGD
SCHEMBL31200491 0.83 ALDH1A1 (0.55) ALDH1A1TSHRHSD17B10KDM4EHPGD
Hydrochloric Acid SCHEMBL7956777 0.82 KDM1A (0.59) ALDH1A1TSHRHSD17B10KDM4EHPGD
SCHEMBL18002969 0.81 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10KDM4EHPGD
SCHEMBL31200448 0.79 ALDH1A1 (0.53) ALDH1A1TSHRHSD17B10KDM4EHPGD
SCHEMBL22439463 0.78 CNR2 (0.52) ALDH1A1TSHRHSD17B10KDM4EHPGD
SCHEMBL4824041 0.78 ALDH1A1 (0.46) ALDH1A1TSHRHSD17B10KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 ALDH1A1 1611/4885TSHR 2067/4885HSD17B10 121/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 ALDH1A1 1611/4885TSHR 2067/4885HSD17B10 121/4885

“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.