SCHEMBL1105784

SCHEMBL1105784

C[C@@H](NCC1CN(C(=O)Nc2ccc(C(=O)O)cc2)CCC1c1cccc(F)c1)c1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CASR P41180 15/20 0.45
CYP2D6 P10635 2/20 0.42
NPC1 O15118 1/20 0.42

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
Hydrochloric Acid SCHEMBL1096704 0.99 CASR (0.46) CASRCYP2D6NPC1
SCHEMBL1105727 0.93 CASR (0.49) CASRCYP2D6NPC1
SCHEMBL1105846 0.88 CASR (0.45) CASRCYP2D6NPC1
SCHEMBL1105767 0.88 CASR (0.48) CASRCYP2D6NPC1
SCHEMBL1105961 0.87 CASR (0.44) CASRCYP2D6
Hydrochloric Acid SCHEMBL1095745 0.87 CASR (0.45) CASRCYP2D6
SCHEMBL1105985 0.86 CASR (0.49) CASRCYP2D6NPC1
Hydrochloric Acid SCHEMBL1097219 0.86 CASR (0.50) CASRCYP2D6NPC1
SCHEMBL4102668 0.85 CASR (0.50) CASRCYP2D6
SCHEMBL4102661 0.85 CASR (0.50) CASRCYP2D6

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
US-8153658-B2 Piperidine derivative or salt thereof ASTELLAS PHARMA, INC. (JP) 2012-04-10 US disclosed
US-8153658-B2 Piperidine derivative or salt thereof ASTELLAS PHARMA, INC. (JP) 2012-04-10 US disclosed
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-02-04 US disclosed
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-02-04 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-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF CASR, CYP2R1, HCAR1 CASR 1/4885CYP2D6 492/4885NPC1 2162/4885

“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.