SCHEMBL16207671

SCHEMBL16207671

CC(C)(C)N1CCC(Oc2ccc(-n3cc(C#N)nn3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.43
MAPT P10636 3/20 0.42
NOTUM Q6P988 1/20 0.40
GPR119 Q8TDV5 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL16215853 0.81 HRH3 (0.58) HRH3
Hydrochloric Acid SCHEMBL16207754 0.81 HRH3 (0.57) HRH3
SCHEMBL16207716 0.79 GPR119 (0.44) HRH3MAPTGPR119MEN1KMT2A
SCHEMBL16215830 0.77 ACKR3 (0.43) HRH3MAPTNOTUMGPR119SMN1; SMN2
SCHEMBL16207706 0.76 GPR119 (0.48) HRH3GPR119MEN1KMT2A
SCHEMBL16207744 0.76 GPR119 (0.48) HRH3GPR119MEN1KMT2A
SCHEMBL16207616 0.76 CA1 (0.46) NOTUMGPR119
SCHEMBL2554613 0.73 GPR119 (0.65) HRH3GPR119
SCHEMBL21004332 0.71 FPR2 (0.46) HRH3MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL21004251 0.71 SMN1; SMN2 (0.55) HRH3MAPTSMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150045553-A1 PHENYLTRIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-02-12 US disclosed
US-20150045553-A1 PHENYLTRIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-02-12 US disclosed
US-20150045553-A1 PHENYLTRIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-02-12 US disclosed
EP-2799436-A1 PHENYLTRIAZOLE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2014-11-05 EP disclosed
EP-2799436-A1 PHENYLTRIAZOLE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2014-11-05 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 (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-20150045553-A1 PHENYLTRIAZOLE DERIVATIVE PER2, BACE1, MAPT HRH3 56/4885MAPT 3/4885NOTUM 742/4885

“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.