SCHEMBL615912

SCHEMBL615912

COc1ccccc1[N+]1([O-])CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.44
HTR3A P46098 3/20 0.44
SIGMAR1 Q99720 2/20 0.44
DRD2 P14416 2/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
ADRB1 P08588 1/20 0.44
CYP2C19 P33261 1/20 0.44
DRD3 P35462 1/20 0.44
HTR6 P50406 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL8815732 0.84 CA1 (0.44) CYP2C19LMNACA12CA1CA2
SCHEMBL11000030 0.82 SLC6A2 (0.43) MAPTHTR1AHTR2BADRA2C
SCHEMBL10707887 0.81 HTR2C (0.45) HTR2CHTR3ASIGMAR1DRD2HTR3E
SCHEMBL11013058 0.80 SLC6A2 (0.41) HTR2CCYP2C19LMNAHTR1AHTR2B
SCHEMBL5768441 0.77 HTR2C (0.39) HTR2CHTR3AADRB1LMNAHTR7
SCHEMBL6917941 0.76 HTR3A (0.41) HTR2CHTR3ASIGMAR1DRD2HTR3E
SCHEMBL5767141 0.73 ADRB1 (0.40) HTR2CDRD2ADRB1DRD3HTR6
SCHEMBL5944589 0.71 CA1 (0.46) HTR2CHTR3ASIGMAR1DRD2HTR3E
SCHEMBL372440 0.69 CA1 (0.44) HTR2CHTR3ASIGMAR1DRD2HTR3E
SCHEMBL5392162 0.67 ORAI1 (0.38) HTR2CHTR3ASIGMAR1HTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA (FR) 2012-02-16 US disclosed
EP-2392571-A2 Indol-3-yl-carbonyl-piperidin and piperazin derivatives F. Hoffmann-La Roche AG (CH) 2011-12-07 EP disclosed
US-20100222357-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA 2010-09-02 US disclosed
US-7781436-B2 Indol-3-y-carbonyl-piperidin and piperazin-derivatives HOFFMANN-LA ROCHE INC. (US) 2010-08-24 US disclosed
EP-1917255-A2 INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-05-07 EP disclosed
WO-2007014851-A2 INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-02-08 WO disclosed
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives HOFFMANN-LA ROCHE INC. 2007-02-01 US disclosed
US-4559403-A FOR TREATMENT OF CEREBRAL AND CARDIAC ISCHEMIAS HOFFMANN-LA ROCHE INC. (US) 1985-12-17 US disclosed
US-4544657-A ANTISCHEMIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1985-10-01 US 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 (3 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-20100222357-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR HTR2C 30/4885HTR3A 26/4885SIGMAR1 95/4885
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR HTR2C 30/4885HTR3A 26/4885SIGMAR1 95/4885
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives AVPR1A, AVPR2, OXTR HTR2C 30/4885HTR3A 26/4885SIGMAR1 95/4885

“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.