SCHEMBL1105978

SCHEMBL1105978

C[C@@H](NCC1CCN(Cc2ccc(C(=O)O)cc2)CC1c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASR P41180 13/20 0.49
KDM1A O60341 4/20 0.48
DRD2 P14416 1/20 0.48
MAOB P27338 1/20 0.48
HTR2A P28223 1/20 0.48
SLC6A4 P31645 1/20 0.48
SCN5A Q14524 1/20 0.48
CYP2D6 P10635 2/20 0.46
ACKR3 P25106 1/20 0.44

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
SCHEMBL1105972 0.93 CASR (0.49) CASRKDM1ADRD2MAOBHTR2A
Hydrochloric Acid SCHEMBL4101549 0.91 CASR (0.53) CASRKDM1ACYP2D6
Hydrochloric Acid SCHEMBL4101551 0.91 CASR (0.53) CASRKDM1ACYP2D6
SCHEMBL1105976 0.91 CASR (0.42) CASRACKR3
SCHEMBL1105911 0.90 ACKR3 (0.46) CASRCYP2D6ACKR3
SCHEMBL1105953 0.90 CASR (0.42) CASRDRD2CYP2D6ACKR3
SCHEMBL1106045 0.90 ROCK2 (0.45) CASRKDM1AACKR3
SCHEMBL1105904 0.89 CASR (0.42) CASRSLC6A4
SCHEMBL1105933 0.89 CASR (0.44) CASR
SCHEMBL1106070 0.88 KDM1A (0.43) CASRKDM1ADRD2HTR2AACKR3

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 1/4885KDM1A 2816/4885DRD2 451/4885

“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.