SCHEMBL2462966

SCHEMBL2462966

C[C@@H](NCc1cccnc1)c1cccc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 4/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.47
POLB P06746 1/20 0.46
CYP2D6 P10635 2/20 0.46
HTT P42858 2/20 0.46
ADRA2C P18825 2/20 0.46
SLC6A2 P23975 2/20 0.46
HTR2C P28335 2/20 0.46
SLC6A4 P31645 2/20 0.46
OPRM1 P35372 2/20 0.46
DRD3 P35462 2/20 0.46
MLNR O43193 1/20 0.46
ABCB11 O95342 1/20 0.46
ADRB1 P08588 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD2 P14416 1/20 0.46

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
SCHEMBL3345026 1.00 CASR (0.51) CASRKDM4EALDH1A1LMNAMAPK1
SCHEMBL30223162 0.88 CYP1A2 (0.44) KDM4EALDH1A1LMNAMAPK1POLB
SCHEMBL2462515 0.85 CASR (0.54) CASRLMNAPOLBCYP2D6HTT
SCHEMBL3345937 0.85 CASR (0.54) CASRLMNAPOLBCYP2D6HTT
SCHEMBL5193705 0.84 POLB (0.61) CASRLMNAPOLBCYP2D6HTT
SCHEMBL2341650 0.84 POLB (0.61) CASRLMNAPOLBCYP2D6HTT
SCHEMBL15131229 0.84 POLB (0.61) CASRLMNAPOLBCYP2D6HTT
Hydrochloric Acid SCHEMBL3082165 0.83 CASR (0.60) CASRLMNAPOLBCYP2D6HTT
Hydrochloric Acid SCHEMBL3067899 0.83 CASR (0.60) CASRLMNAPOLBCYP2D6HTT
Hydrochloric Acid SCHEMBL607723 0.83 CASR (0.60) CASRLMNAPOLBCYP2D6HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230517-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. 2011-09-22 US claimed
US-8791147-B2 Calcium receptor modulating agents AMGEN INC. (US) 2014-07-29 US disclosed
US-8791147-B2 Calcium receptor modulating agents AMGEN INC. (US) 2014-07-29 US disclosed
US-20110230517-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. 2011-09-22 US disclosed
US-20110230517-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. 2011-09-22 US disclosed
WO-2010042642-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. (US) 2010-04-15 WO 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-20110230517-A1 CALCIUM RECEPTOR MODULATING AGENTS CASR, CALCR, CNR1 CASR 1/4885KDM4E 4037/4885ALDH1A1 4294/4885

“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.