SCHEMBL5820008

SCHEMBL5820008

N#Cc1cc(-n2nnnc2C(F)(F)F)ccc1OC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.38
PTGES O14684 1/20 0.36
TACR1 P25103 8/20 0.36
LCAT P04180 1/20 0.35
CHRM4 P08173 1/20 0.35
MBOAT4 Q96T53 1/20 0.35
NOTUM Q6P988 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34

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
SCHEMBL5935000 0.81 TACR1 (0.39) TACR1NOTUMALDH1A1HPGD
SCHEMBL5820443 0.78 TACR1 (0.36) TACR1NOTUMALDH1A1HPGD
SCHEMBL324088 0.75 ALDH1A1 (0.45) GRM2PTGESNOTUMALDH1A1LMNA
SCHEMBL323908 0.75 NOTUM (0.41) GRM2PTGESCHRM4NOTUMLMNA
SCHEMBL13629596 0.71 TACR1 (0.46) TACR1NOTUMALDH1A1HPGD
SCHEMBL8176205 0.70 TACR1 (0.48) TACR1ALDH1A1HPGD
SCHEMBL8530555 0.70 TACR1 (0.46) TACR1ALDH1A1HPGD
SCHEMBL325636 0.69 CHRM2 (0.37) PTGESCHRM4LMNACHRM2CHRM1
SCHEMBL13630147 0.69 TACR1 (0.46) TACR1NOTUMALDH1A1HPGD
SCHEMBL13629600 0.68 LMNA (0.45) TACR1NOTUMALDH1A1LMNAHPGD

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
WO-2006115286-A1 PIPERIDINE DERIVATIVES, CRYSTAL, PROCESS FOR PRODUCING THE SAME, AND USE AS TACHIKININ RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-02 WO disclosed
US-20060241145-A1 Piperidine derivative crystal, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-26 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-20060241145-A1 Piperidine derivative crystal, process for producing the same, and use PKD2, PKD1, TACR1 GRM2 1030/4885PTGES 733/4885TACR1 3/4885

“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.