SCHEMBL9985461

SCHEMBL9985461

Cc1c(C(=O)N2CCC(c3ccc(F)cc3)CC2)c2ccccc2n1Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 3/20 0.61
AVPR2 P30518 1/20 0.55
POLB P06746 1/20 0.53
CHRM4 P08173 1/20 0.48
LMNA P02545 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CCR1 P32246 1/20 0.43
CNR2 P34972 1/20 0.43
TP53 P04637 1/20 0.42
TPSAB1 Q15661 1/20 0.42
PLA2G2A P14555 1/20 0.42

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
SCHEMBL3566545 0.93 AVPR1A (0.67) AVPR1AAVPR2POLBCHRM4LMNA
SCHEMBL4658559 0.82 AVPR1A (0.70) AVPR1AAVPR2POLBLMNAMEN1
SCHEMBL4657511 0.80 AVPR1A (0.55) AVPR1AAVPR2POLBCNR2PLA2G2A
SCHEMBL10265794 0.79 AVPR1A (0.69) AVPR1AAVPR2POLBMEN1KMT2A
SCHEMBL615594 0.79 AVPR1A (0.56) AVPR1AAVPR2POLBLMNANPC1
SCHEMBL613584 0.78 AVPR1A (0.68) AVPR1AAVPR2POLBLMNARAB9A
SCHEMBL3090648 0.77 AVPR1A (0.58) AVPR1AAVPR2POLBMEN1KMT2A
SCHEMBL4657197 0.76 AVPR1A (0.77) AVPR1AAVPR2POLBCHRM4LMNA
SCHEMBL616088 0.76 AVPR1A (0.64) AVPR1AAVPR2POLBLMNAMEN1
SCHEMBL613242 0.76 AVPR1A (1.00) AVPR1AAVPR2POLBMEN1KMT2A

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 13 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
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA (FR) 2012-02-16 US disclosed
CN-102295636-A Indol-3-y-carbonyl-piperidin and piperazin-derivatives 2011-12-28 CN disclosed
EP-2392571-A2 Indol-3-yl-carbonyl-piperidin and piperazin derivatives F. Hoffmann-La Roche AG (CH) 2011-12-07 EP 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-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
US-7781436-B2 Indol-3-y-carbonyl-piperidin and piperazin-derivatives HOFFMANN-LA ROCHE INC. (US) 2010-08-24 US disclosed
CN-101277945-A Indol-3-yl-carbonyl-piperidine and piperazine derivatives HOFFMANN LA ROCHE (CH) 2008-10-01 CN 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-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 AVPR1A 1/4885AVPR2 2/4885POLB 3988/4885
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR AVPR1A 1/4885AVPR2 2/4885POLB 3988/4885
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives AVPR1A, AVPR2, OXTR AVPR1A 1/4885AVPR2 2/4885POLB 3988/4885

“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.