SCHEMBL4881229

SCHEMBL4881229

C[C@@H]1CNCCN1c1cccc(-c2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.47
PIM3 Q86V86 2/20 0.47
PIM2 Q9P1W9 2/20 0.47
HTR2C P28335 9/20 0.47
ASIC3 Q9UHC3 1/20 0.47
GSK3B P49841 2/20 0.47
LATS1 O95835 1/20 0.46
USP30 Q70CQ3 2/20 0.42
HSD11B1 P28845 1/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2B P41595 1/20 0.39

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
SCHEMBL4885307 1.00 PIM1 (0.47) PIM1PIM3PIM2HTR2CASIC3
SCHEMBL4881237 1.00 PIM1 (0.47) PIM1PIM3PIM2HTR2CASIC3
SCHEMBL16933690 0.79 ROCK1 (0.47) HTR2CGSK3BLATS1USP30HTR2B
SCHEMBL15578384 0.79 ROCK1 (0.47) HTR2CGSK3BLATS1USP30HTR2B
SCHEMBL29384430 0.79 ROCK1 (0.47) HTR2CGSK3BLATS1USP30HTR2B
SCHEMBL9213161 0.79 HTR3E (0.56) PIM1PIM3PIM2HTR2CGSK3B
SCHEMBL29668691 0.79 HTR3E (0.56) PIM1PIM3PIM2HTR2CGSK3B
SCHEMBL21098721 0.77 ALOX5 (0.48) PIM1PIM3PIM2HTR2CHTR2A
SCHEMBL21098718 0.77 ALOX5 (0.48) PIM1PIM3PIM2HTR2CHTR2A
SCHEMBL20141500 0.76 PLD1 (0.54) PIM1PIM3PIM2HTR2CMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255137-A1 N-Biaryl and N-Arylheteroaryl 2-Substituted Piperazine Derivatives as Modulators of the 5ht2c Receptor Useful for the Treatment of Disorders Related Thereto ARENA PHARMACEUTICALS, INC. (US) 2008-10-16 US disclosed
US-20080255137-A1 N-Biaryl and N-Arylheteroaryl 2-Substituted Piperazine Derivatives as Modulators of the 5ht2c Receptor Useful for the Treatment of Disorders Related Thereto ARENA PHARMACEUTICALS, INC. (US) 2008-10-16 US disclosed
US-20080255137-A1 N-Biaryl and N-Arylheteroaryl 2-Substituted Piperazine Derivatives as Modulators of the 5ht2c Receptor Useful for the Treatment of Disorders Related Thereto ARENA PHARMACEUTICALS, INC. (US) 2008-10-16 US disclosed
EP-1831188-A1 N-BIARYL AND N-ARYLHETEROARYL 2-SUBSTITUTED PIPERAZINE DERIVATIVES AS MODULATORS OF THE 5HT2C RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2007-09-12 EP disclosed
WO-2006065706-A9 N-BIARYL AND N-ARYLHETEROARYL 2-SUBSTITUTED PIPERAZINE DERIVATIVES AS MODULATORS OF THE 5HT2C RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2007-07-26 WO disclosed
WO-2006065706-A9 N-BIARYL AND N-ARYLHETEROARYL 2-SUBSTITUTED PIPERAZINE DERIVATIVES AS MODULATORS OF THE 5HT2C RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2007-07-26 WO disclosed
WO-2006065706-A1 N-BIARYL AND N-ARYLHETEROARYL 2-SUBSTITUTED PIPERAZINE DERIVATIVES AS MODULATORS OF THE 5HT2C RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2006-06-22 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-20080255137-A1 N-Biaryl and N-Arylheteroaryl 2-Substituted Piperazine Derivatives as Modulators of the 5ht2c Receptor Useful for the Treatment of Disorders Related Thereto HTR2C, HTR2A, HTR5A PIM1 4871/4885PIM3 4788/4885PIM2 4662/4885

“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.