SCHEMBL4491395

SCHEMBL4491395

CC1CCN(CCCC(=O)c2ccc(Br)cc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.76
ADRA1A P35348 3/20 0.76
HTR1A P08908 2/20 0.76
ADRA2A P08913 2/20 0.76
OPRM1 P35372 2/20 0.76
DRD3 P35462 2/20 0.76
KCNH2 Q12809 2/20 0.76
MEN1 O00255 1/20 0.76
CHRM2 P08172 1/20 0.76
DRD1 P21728 1/20 0.76
HRH3 Q9Y5N1 1/20 0.76
CYP2J2 P51589 1/20 0.63
ALDH1A1 P00352 3/20 0.60
LMNA P02545 3/20 0.60
MAPT P10636 2/20 0.60
HPGD P15428 1/20 0.60
TAAR1 Q96RJ0 1/20 0.60
TP53 P04637 1/20 0.57
KDM4E B2RXH2 1/20 0.56
RECQL P46063 1/20 0.56

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
SCHEMBL13913702 0.87 KMT2A (0.78) KMT2AADRA1AHTR1AADRA2AOPRM1
Melperone SCHEMBL146287 0.86 KMT2A (1.00) KMT2AADRA1AHTR1AADRA2AOPRM1
SCHEMBL22778808 0.86 HTR1A (0.76) KMT2AADRA1AHTR1AADRA2AOPRM1
SCHEMBL22778817 0.85 CYP2J2 (0.60) KMT2AADRA1AHTR1AADRA2AOPRM1
Melperone SCHEMBL1649537 0.85 KMT2A (0.97) KMT2AADRA1AHTR1AADRA2AOPRM1
SCHEMBL10537108 0.81 KMT2A (0.68) KMT2AADRA1AHTR1AADRA2AOPRM1
SCHEMBL22778847 0.81 DRD2 (0.65) KMT2AADRA1AHTR1AADRA2AOPRM1
SCHEMBL11678065 0.80 KMT2A (0.67) KMT2AADRA1AHTR1AADRA2AOPRM1
SCHEMBL4499983 0.80 CYP2J2 (0.65) CYP2J2SLC6A2SLC6A4
SCHEMBL11554538 0.79 HRH3 (0.65) KMT2AADRA1AHTR1AADRA2AOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067604-B2 Process for production of carebastine ALBANY MOLECULAR RESEARCH, INC. (US) 2011-11-29 US disclosed
US-20110065923-A1 PROCESS FOR PRODUCTION OF CAREBASTINE ALBANY MOLECULAR RESEARCH, INC. (US) 2011-03-17 US disclosed
US-7485651-B2 Compounds with activity on muscarinic receptors ACADIA PHARMACEUTICALS, INC. (US) 2009-02-03 US disclosed
US-20080108618-A1 COMPOUNDS WITH ACTIVITY ON MUSCARINIC RECEPTORS BRANN MARK 2008-05-08 US disclosed
US-20030144285-A1 Compounds with activity on muscarinic receptors BRANN MARK (US) 2003-07-31 US disclosed
US-6528529-B1 4-Methoxy-1-(4-(2-methylphenyl)-4-oxo-1-butyl)piperidine ACADIA PHARMACEUTICALS INC. 2003-03-04 US disclosed
WO-2001005763-A2 COMPOUNDS WITH ACTIVITY ON MUSCARINIC RECEPTORS ACADIA PHARMACEUTICALS, INC. (US) 2001-01-25 WO disclosed
EP-1068185-A1 COMPOUNDS WITH ACTIVITY ON MUSCARINIC RECEPTORS Acadia Pharmaceuticals Inc. (US) 2001-01-17 EP disclosed
WO-1999050247-A1 COMPOUNDS WITH ACTIVITY ON MUSCARINIC RECEPTORS ACADIA PHARMACEUTICALS, INC. (US) 1999-10-07 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 (3 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-20080108618-A1 COMPOUNDS WITH ACTIVITY ON MUSCARINIC RECEPTORS CHRM3, CHRM2, CHRM1 KMT2A 2878/4885ADRA1A 29/4885HTR1A 147/4885
US-20030144285-A1 Compounds with activity on muscarinic receptors CHRM3, CHRM2, CHRM1 KMT2A 2878/4885ADRA1A 29/4885HTR1A 147/4885
US-20110065923-A1 PROCESS FOR PRODUCTION OF CAREBASTINE GABRE, GABRB3, GABRB2 KMT2A 3418/4885ADRA1A 1947/4885HTR1A 4290/4885

“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.