SCHEMBL613195

SCHEMBL613195

COc1ccccc1N1CCN(C(=O)c2cn(CC(=O)O)c3cc(Cl)ccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 2/20 0.53
MAPT P10636 5/20 0.52
ALDH1A1 P00352 4/20 0.52
TSHR P16473 2/20 0.52
LMNA P02545 6/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
POLB P06746 2/20 0.51
HTT P42858 2/20 0.51
KDM4E B2RXH2 1/20 0.51
NOD2 Q9HC29 1/20 0.51
MAPK1 P28482 2/20 0.50
TP53 P04637 1/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALOX15 P16050 1/20 0.49

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
SCHEMBL612975 0.92 TACR3 (0.52) TACR3MAPTALDH1A1TSHRLMNA
SCHEMBL614542 0.91 MAPT (0.53) MAPTTSHRLMNASMN1; SMN2POLB
SCHEMBL613571 0.90 AVPR1A (0.59) TACR3MAPTALDH1A1TSHRLMNA
SCHEMBL614695 0.90 TACR3 (0.51) TACR3MAPTALDH1A1TSHRLMNA
SCHEMBL615877 0.89 AVPR1A (0.61) TACR3MAPTLMNASMN1; SMN2POLB
SCHEMBL613508 0.88 TACR3 (0.52) TACR3MAPTALDH1A1TSHRLMNA
SCHEMBL615459 0.88 LMNA (0.52) TACR3MAPTLMNASMN1; SMN2POLB
Hydrochloric Acid SCHEMBL615264 0.87 LMNA (0.51) TACR3MAPTLMNASMN1; SMN2POLB
SCHEMBL615550 0.86 TACR3 (0.51) TACR3MAPTALDH1A1TSHRLMNA
SCHEMBL615571 0.86 AVPR1A (0.58) TACR3MAPTALDH1A1TSHRLMNA

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 TACR3 676/4885MAPT 4078/4885ALDH1A1 1370/4885
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR TACR3 676/4885MAPT 4078/4885ALDH1A1 1370/4885
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives AVPR1A, AVPR2, OXTR TACR3 676/4885MAPT 4078/4885ALDH1A1 1370/4885

“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.