SCHEMBL2697639

SCHEMBL2697639

C=C[CH]N1CCNCC1c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
CYP1A2 P05177 1/20 0.39
HTR1A P08908 1/20 0.39
CYP2D6 P10635 1/20 0.39
NCF1 P14598 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR7 P34969 1/20 0.39
MTOR P42345 1/20 0.39
HTR3A P46098 1/20 0.39
HTR5A P47898 1/20 0.39
HTR6 P50406 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SIGMAR1 Q99720 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
SCHEMBL10772882 0.77 SLC6A2 (0.40) HTR2AHTR3EHTR3BCYP2D6HTR3A
SCHEMBL8670994 0.73 TDP1 (0.42) HTR2AHTR3EHTR3BCYP1A2HTR1A
SCHEMBL8670992 0.71 HTR2C (0.43) HTR2AHTR3EHTR3BCYP1A2HTR1A
SCHEMBL6363783 0.71 KDM4E (0.34) HTR2ASIGMAR1TAAR1KDM4EALDH1A1
SCHEMBL4432187 0.71 HTR2C (0.46) HTR2ATAAR1HTR2CHTR2BKDM1A
SCHEMBL28019268 0.68 HTR2C (0.44) HTR2ATAAR1KDM4EHTR2CHTR2B
SCHEMBL10681131 0.67 EGFR (0.41) KDM4EALDH1A1MTNR1AEGFRERBB2
SCHEMBL4430758 0.67 HTR2C (0.50) HTR2ATAAR1HTR2CHTR2B
SCHEMBL8811877 0.66 MEN1 (0.38) CYP2D6HTR6SIGMAR1TDP1SLC6A4
SCHEMBL8878356 0.64 MTNR1A (0.53) HTR6HTR2CMTNR1AKDM1ASLC6A4

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
EP-2896624-B1 Heterotricyclic compounds as serotonergic and/or dopaminergic agents and uses thereof ATIR HOLDING S A (LU) 2016-07-13 EP disclosed
EP-2142541-B1 HETEROTRICYCLIC COMPOUNDS AS SEROTONERGIC AND/OR DOPAMINERGIC AGENTS AND USES THEREOF ATIR HOLDING S A (LU) 2016-03-30 EP disclosed
EP-2896624-A1 Heterotricyclic compounds as serotonergic and/or dopaminergic agents and uses thereof Atir Holding S.A. (LU) 2015-07-22 EP disclosed
US-8168639-B2 Heterotricyclic compounds as serotonergic and/or dopaminergic agents and uses thereof ATIR HOLDING S.A. (LU) 2012-05-01 US disclosed
US-20100216807-A1 HETEROCYCLIC COMPOUNDS AS SEROTONERGIC AND / OR DOPAMINERGIC AGENTS AND USES THEREOF ATIR Holding S.A (LU) 2010-08-26 US disclosed
EP-2142541-A2 HETEROTRICYCLIC COMPOUNDS AS SEROTONERGIC AND/OR DOPAMINERGIC AGENTS AND USES THEREOF Atir Holding S.A. (LU) 2010-01-13 EP disclosed
WO-2008117269-A2 HETEROTRI CYCIII C COMPOUNDS AS SEROTONERGIC AND/OR DOPAMINERGIC AGENTS AND USES THEREOF ATIR HOLDING S.A. (LU) 2008-10-02 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-20100216807-A1 HETEROCYCLIC COMPOUNDS AS SEROTONERGIC AND / OR DOPAMINERGIC AGENTS AND USES THEREOF HTR1A, HTR1B, HTR1D HTR2A 17/4885HTR3E 32/4885HTR3B 5/4885

“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.