SCHEMBL4247502

SCHEMBL4247502

Cc1ccc(N2CCN[C@@H](C)C2)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
KHK P50053 2/20 0.43
HTR6 P50406 4/20 0.42
CYP1A2 P05177 2/20 0.39
ADRB1 P08588 1/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
PRKCQ Q04759 1/20 0.38
PRKCD Q05655 1/20 0.38
KIT P10721 1/20 0.38
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR1A P08908 1/20 0.37
CYP2D6 P10635 1/20 0.37
NCF1 P14598 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37

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
SCHEMBL4247507 1.00 HTR2C (0.45) HTR2CALDH1A1LMNAKHKHTR6
SCHEMBL6808205 0.85 HTR2C (0.43) HTR2CALDH1A1LMNAKHKHTR6
SCHEMBL6808332 0.84 ALDH1A1 (0.52) HTR2CALDH1A1LMNAKHKHTR6
SCHEMBL21268746 0.81 ADRB1 (0.61) HTR2CALDH1A1LMNAKHKCYP1A2
SCHEMBL21268764 0.81 ADRB1 (0.61) HTR2CALDH1A1LMNAKHKCYP1A2
SCHEMBL21281577 0.81 ADRB1 (0.61) HTR2CALDH1A1LMNAKHKCYP1A2
SCHEMBL6811561 0.80 AR (0.58)
SCHEMBL4244450 0.80 HTR6 (0.61) HTR2CALDH1A1LMNAKHKHTR6
SCHEMBL4244446 0.80 HTR6 (0.61) HTR2CALDH1A1LMNAKHKHTR6
SCHEMBL4247868 0.80 HTR6 (0.61) HTR2CALDH1A1LMNAKHKHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036455-A1 ARYLPIPERAZINE DERIVATIVE AND USE THEREOF AS 5-HT1A RECEPTOR LIGANDS CEPA SCHWARZ PHARMA, S.L. (ES) 2009-02-05 US disclosed
EP-1830854-A1 ARYLPIPERAZINE DERIVATIVES AND USE THEREOF AS 5-HT1A RECEPTOR LIGANDS Schwarz Pharma, s.l. (ES) 2007-09-12 EP disclosed
WO-2006069993-A1 ARYLPIPERAZINE DERIVATIVES AND USE THEREOF AS 5-HT1A RECEPTOR LIGANDS SCHWARZ PHARMA S.L. (ES) 2006-07-06 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-20090036455-A1 ARYLPIPERAZINE DERIVATIVE AND USE THEREOF AS 5-HT1A RECEPTOR LIGANDS HTR1A, HTR5A, HTR2C HTR2C 3/4885ALDH1A1 671/4885LMNA 2526/4885

“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.