SCHEMBL614437

SCHEMBL614437

c1cc2c(c(C3CCNCC3)c1)OCC2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.46
HTR2C P28335 8/20 0.46
PARP1 P09874 1/20 0.41
SLC6A2 P23975 5/20 0.40
SLC6A4 P31645 5/20 0.40
KCNH2 Q12809 1/20 0.40
SLC6A3 Q01959 3/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
HTR6 P50406 1/20 0.39
HRH1 P35367 1/20 0.38
SLC18A3 Q16572 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL8747214 0.88 HTR1A (0.51) HTR1APARP1
SCHEMBL8548879 0.79 ADRB1 (0.50) HTR1AHTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL3275506 0.77 SSTR4 (0.40) HTR1AHTR2C
Hydrochloric Acid SCHEMBL3278097 0.76 SSTR4 (0.40) HTR1AHTR2C
SCHEMBL27449991 0.76 HTR2C (0.45) HTR1AHTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL3275394 0.75 HTR2C (0.42) HTR1AHTR2C
SCHEMBL23323106 0.75 CHRM5 (0.44) HTR1APARP1
SCHEMBL9934153 0.74 HTR2C (0.46) HTR2C
Hydrochloric Acid SCHEMBL3276764 0.74 SSTR4 (0.38) HTR1AHTR2C
Hydrochloric Acid SCHEMBL3276619 0.74 HTR2C (0.41) HTR1AHTR2C

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-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

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 HTR1A 16/4885HTR2C 30/4885PARP1 3395/4885
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR HTR1A 16/4885HTR2C 30/4885PARP1 3395/4885
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives AVPR1A, AVPR2, OXTR HTR1A 16/4885HTR2C 30/4885PARP1 3395/4885

“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.