SCHEMBL4757637

SCHEMBL4757637

CC(=O)Nc1cc[c]nn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 6/20 0.42
MEN1 O00255 4/20 0.42
MAPT P10636 4/20 0.42
KMT2A Q03164 4/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
PTK2 Q05397 1/20 0.42
GLA P06280 1/20 0.42
TNNI3 P19429 1/20 0.42
TNNT2 P45379 1/20 0.42
TNNC1 P63316 1/20 0.42
RUNX1 Q01196 1/20 0.42
CBFB Q13951 1/20 0.42
GLS O94925 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA12 O43570 1/20 0.41

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
SCHEMBL4418275 0.78 GLS (0.58) L3MBTL1HTTSMN1; SMN2KDM4EMEN1
SCHEMBL14009931 0.73 GLS (0.50) L3MBTL1KDM4EMAPTPTK2GLS
SCHEMBL28583200 0.71
SCHEMBL8934616 0.71 KDM4E (0.47) L3MBTL1HTTSMN1; SMN2KDM4EMAPT
SCHEMBL316074 0.71 L3MBTL1 (0.52) L3MBTL1SMN1; SMN2KDM4EKMT2ANPC1
SCHEMBL25681597 0.69 GLS (0.50) L3MBTL1HTTSMN1; SMN2KDM4EMEN1
SCHEMBL22529510 0.68 GLS (0.49) L3MBTL1HTTSMN1; SMN2KDM4EMAPT
SCHEMBL10480584 0.68 PTK2 (0.50) L3MBTL1HTTSMN1; SMN2KDM4EMEN1
SCHEMBL19924514 0.68 GLS (0.49) L3MBTL1HTTSMN1; SMN2KDM4EMAPT
SCHEMBL11296558 0.68 L3MBTL1 (0.44) L3MBTL1HTTSMN1; SMN2KDM4EMEN1

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
WO-2017189866-A1 POLYMYXIN ANALOGS USEFUL AS ANTIBIOTIC POTENTIATORS SPERO OPCO (US) 2017-11-02 WO claimed
US-20080275085-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 US claimed
WO-2017189866-A1 POLYMYXIN ANALOGS USEFUL AS ANTIBIOTIC POTENTIATORS SPERO OPCO (US) 2017-11-02 WO disclosed
WO-2008133344-A2 PIPERIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 WO disclosed
US-20080275085-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 US disclosed
US-4385181-A CHAMICAL INTERMEDIATES FOR CEPHALOSPORINS RHONE POULENC INDUSTRIES (FR) 1983-05-24 US disclosed
US-4307116-A BACTERICIDES RHONE-POULENC INDUSTRIES (FR) 1981-12-22 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 (1 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-20080275085-A1 Piperidine derivative and use thereof TACR2, TACR1, PRLHR L3MBTL1 1776/4885HTT 1948/4885SMN1; SMN2 4526/4885

“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.