SCHEMBL614773

SCHEMBL614773

O=C(O)Cn1cc(C(=O)N2CCN(c3ccccc3F)CC2)c2ccc(Cl)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
TSHR P16473 1/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
PIK3CD O00329 1/20 0.49
PIK3R1 P27986 1/20 0.49
PIK3CA P42336 1/20 0.49
PIK3CG P48736 1/20 0.49
USP2 O75604 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALOX15 P16050 1/20 0.49
MAPT P10636 1/20 0.49
AVPR1A P37288 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TP53 P04637 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL612523 0.91 SMN1; SMN2 (0.52) SMN1; SMN2TSHRMEN1KMT2APIK3CD
SCHEMBL613537 0.89 SMN1; SMN2 (0.49) SMN1; SMN2TSHRMEN1KMT2APIK3CD
SCHEMBL616064 0.89 AVPR1A (0.61) SMN1; SMN2TSHRMEN1KMT2APIK3CD
SCHEMBL615567 0.88 SMN1; SMN2 (0.53) SMN1; SMN2TSHRMEN1KMT2APIK3CD
SCHEMBL614237 0.88 AVPR1A (0.62) SMN1; SMN2TSHRMEN1KMT2APIK3CD
SCHEMBL613610 0.87 AVPR1A (0.51) SMN1; SMN2TSHRMEN1KMT2APIK3CD
SCHEMBL613033 0.86 AVPR1A (0.51) SMN1; SMN2TSHRMEN1KMT2APIK3CD
SCHEMBL613195 0.86 TACR3 (0.53) SMN1; SMN2TSHRMEN1KMT2AKDM4E
SCHEMBL614430 0.85 AVPR1A (0.60) SMN1; SMN2TSHRMEN1KMT2APIK3CD
SCHEMBL615563 0.85 SMN1; SMN2 (0.49) SMN1; SMN2TSHRMEN1KMT2APIK3CD

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 SMN1; SMN2 4271/4885TSHR 139/4885MEN1 1220/4885
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR SMN1; SMN2 4271/4885TSHR 139/4885MEN1 1220/4885
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives AVPR1A, AVPR2, OXTR SMN1; SMN2 4271/4885TSHR 139/4885MEN1 1220/4885

“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.