SCHEMBL1140912

SCHEMBL1140912

CC1CCN(CCC(=O)c2ccccc2)C1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.68
ALDH1A1 P00352 8/20 0.68
LMNA P02545 2/20 0.68
GAA P10253 1/20 0.68
SIGMAR1 Q99720 2/20 0.63
MAPT P10636 3/20 0.62
TAAR1 Q96RJ0 2/20 0.62
HPGD P15428 1/20 0.62
GFER P55789 1/20 0.57
DRD3 P35462 2/20 0.53
MEN1 O00255 1/20 0.52
CHRM2 P08172 1/20 0.52
HTR1A P08908 1/20 0.52
ADRA2A P08913 1/20 0.52
DRD1 P21728 1/20 0.52
ADRA1A P35348 1/20 0.52
OPRM1 P35372 1/20 0.52
KCNH2 Q12809 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
HTT P42858 1/20 0.51

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 SCHEMBL22614720 0.99 KMT2A (0.71) KMT2AALDH1A1LMNAGAASIGMAR1
SCHEMBL12123736 0.87 LMNA (0.64) KMT2AALDH1A1LMNAGAASIGMAR1
SCHEMBL12123658 0.84 HTR1A (0.56) KMT2AALDH1A1LMNAGAAMAPT
SCHEMBL6405297 0.84 ALDH1A1 (0.70) KMT2AALDH1A1LMNAGAASIGMAR1
SCHEMBL6400287 0.82 ALDH1A1 (0.68) KMT2AALDH1A1LMNAGAASIGMAR1
SCHEMBL17549666 0.80 SIGMAR1 (0.73) KMT2AALDH1A1LMNAGAASIGMAR1
SCHEMBL16026463 0.79 KMT2A (0.83) KMT2AALDH1A1SIGMAR1MAPTGFER
SCHEMBL12859265 0.78 KMT2A (0.64) KMT2AALDH1A1LMNASIGMAR1MAPT
SCHEMBL11226725 0.78 SIGMAR1 (0.66) KMT2AALDH1A1LMNAGAASIGMAR1
SCHEMBL6399721 0.78 ALDH1A1 (0.62) KMT2AALDH1A1LMNAGAASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8350045-B2 Process for preparation of E-isomer of 1-(4-methylphenyl)-1-(2-pyridyl)-3-pyrrolidino prop-1-ene and acid addition salts thereof HIKAL LIMITED (IN) 2013-01-08 US disclosed
US-20110046384-A1 PROCESS FOR PREPARATION OF E-ISOMER OF 1-(4-METHYLPHENYL) - 1-(2-PYRID YL)-3-PYRROLIDINO PROP-1-ENE AND ACID ADDITION SALTS THEREOF HIKAL LIMITED (IN) 2011-02-24 US disclosed
EP-2222640-A1 A PROCESS FOR PREPARATION OF E-ISOMER OF 1-(4-METHYLPHENYL)- 1-(2-PYRID YL)-3-PYRROLIDINO PROP-1-ENE AND ACID ADDITION SALTS THEREOF Hikal Limited (IN) 2010-09-01 EP disclosed
WO-2009084035-A1 A PROCESS FOR PREPARATION OF E-ISOMER OF 1-(4-METHYLPHENYL)- 1-(2-PYRID YL)-3-PYRROLIDINO PROP-1-ENE AND ACID ADDITION SALTS THEREOF HIKAL LIMITED (IN) 2009-07-09 WO disclosed
WO-2007141803-A2 A PROCESS FOR THE SYNTHESIS OF (E) -2-[1 - (4 - METHYL PHENYL) -3-(1-PYRRONYL)-1 - PROPENYL] PYRIDINE (TRIPROLIDINE) VITTAL MALLYA SCIENTIFIC RESEARCH FOUNDATION (IN) 2007-12-13 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-20110046384-A1 PROCESS FOR PREPARATION OF E-ISOMER OF 1-(4-METHYLPHENYL) - 1-(2-PYRID YL)-3-PYRROLIDINO PROP-1-ENE AND ACID ADDITION SALTS THEREOF ENPP1, ELP1, ECE1 KMT2A 2095/4885ALDH1A1 179/4885LMNA 892/4885

“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.