SCHEMBL19221990

SCHEMBL19221990

Cc1cnc2c(c1)c(F)cn2C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.41
BRD4 O60885 2/20 0.35
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MTNR1A P48039 1/20 0.30

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
SCHEMBL4403649 0.81 NOS3 (0.38) CHRNA7BRD4CCR1CCR5CCR8
SCHEMBL21622427 0.80 HSD17B10 (0.42) CHRNA7BRD4
SCHEMBL31370721 0.78 BRD4 (0.35) BRD4CCR1CCR5CCR8NOS3
SCHEMBL18359212 0.78 LRRK2 (0.38) CHRNA7BRD4CCR1CCR5CCR8
SCHEMBL17211632 0.78 BRD4 (0.55) BRD4CCR1CCR5CCR8NOS3
SCHEMBL21440031 0.77 CHRNA7 (0.35) CHRNA7BRD4
SCHEMBL20413788 0.75 ALDH1A1 (0.42) BRD4KDM4EMTNR1A
SCHEMBL18538061 0.75 BRD4 (0.34) BRD4KDM4E
SCHEMBL17211630 0.74 BRD4 (0.36) BRD4CCR1CCR5CCR8
SCHEMBL20413789 0.74 MTNR1A (0.41) CHRNA7BRD4KDM4EMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3202767-B1 AZABICYCLO DERIVATIVES, PROCESS FOR PREPARATION THEREOF AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECH CO LTD (CN) 2019-04-03 EP disclosed
US-20170296537-A1 AZABICYCLO DERIVATIVES, PROCESS FOR PREPARATION THEROF AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2017-10-19 US disclosed
EP-3202767-A1 AZABICYCLO DERIVATIVES, PROCESS FOR PREPARATION THEREOF AND MEDICAL USE THEREOF Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) 2017-08-09 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-20170296537-A1 AZABICYCLO DERIVATIVES, PROCESS FOR PREPARATION THEROF AND MEDICAL USE THEREOF EGFR, ERBB2, ERBB4 CHRNA7 4782/4885BRD4 4256/4885CCR1 2239/4885

“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.