SCHEMBL2926293

SCHEMBL2926293

Cc1ccc(N2CCN(C(C)C)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.54
MAPT P10636 8/20 0.49
CYP1A2 P05177 3/20 0.49
CYP2C19 P33261 3/20 0.49
CYP2C9 P11712 2/20 0.49
CYP3A4 P08684 1/20 0.49
SIRT6 Q8N6T7 4/20 0.48
ALDH1A1 P00352 7/20 0.46
LMNA P02545 3/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
HTR6 P50406 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL15642893 0.89 HPGD (0.69) HPGDMAPTCYP1A2CYP2C19CYP2C9
SCHEMBL16654078 0.84 MAPT (0.57) HPGDMAPTCYP1A2CYP2C19CYP2C9
SCHEMBL30900326 0.84 SIRT6 (0.67) HPGDMAPTSIRT6ALDH1A1LMNA
SCHEMBL1527190 0.84 SIRT6 (0.67) HPGDMAPTSIRT6ALDH1A1LMNA
SCHEMBL27518071 0.83 HPGD (0.74) HPGDMAPTCYP1A2CYP2C19CYP2C9
SCHEMBL2203905 0.82 SIRT6 (0.59) MAPTCYP1A2CYP2C19CYP2C9CYP3A4
SCHEMBL2553550 0.82 MAPT (0.72) HPGDMAPTCYP1A2CYP2C19CYP2C9
SCHEMBL13981521 0.82 SIRT6 (0.72) HPGDMAPTCYP1A2CYP2C19CYP2C9
SCHEMBL22652197 0.82 MAPT (0.51) HPGDMAPTCYP1A2CYP2C19CYP2C9
SCHEMBL22174793 0.82 MAPT (0.51) HPGDMAPTCYP1A2CYP2C19CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE41315-E1 Modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB (DE) 2010-05-04 US disclosed
US-6924374-B2 Central nervous system disorders; psychological disorders A. CARLSSON RESEARCH AB (SE) 2005-08-02 US disclosed
EP-1419773-A2 4-Phenylpiperidine derivatives as modulators of dopamine neurotransmission A. Carlsson Research AB (SE) 2004-05-19 EP disclosed
US-20030004169-A1 Modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2003-01-02 US disclosed
EP-1240143-A1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION A. Carlsson Research AB (SE) 2002-09-18 EP disclosed
WO-2001046146-A1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2001-06-28 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-20030004169-A1 Modulators of dopamine neurotransmission OPRD1, OPRK1, OPRM1 HPGD 4313/4885MAPT 2736/4885CYP1A2 854/4885

“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.