SCHEMBL2962867

SCHEMBL2962867

O=C(NC1CC1)c1ncc[nH]1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 4/20 0.44
RAB9A P51151 3/20 0.44
ACKR3 P25106 1/20 0.42
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.39
RIPK1 Q13546 1/20 0.38
MAPK8 P45983 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
MEN1 O00255 1/20 0.38
GLA P06280 1/20 0.37

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
SCHEMBL11878066 0.93 SMN1; SMN2 (0.58) SMYD3SMN1; SMN2L3MBTL1NPC1RAB9A
SCHEMBL19710364 0.92 SMYD3 (0.61) SMYD3SMN1; SMN2L3MBTL1
SCHEMBL21489887 0.92 SMYD3 (0.61) SMYD3SMN1; SMN2L3MBTL1
SCHEMBL3682800 0.92 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1NPC1RAB9AACKR3
SCHEMBL19710371 0.86 SMYD3 (0.60) SMYD3
SCHEMBL4435015 0.85 SMN1; SMN2 (0.43) SMYD3SMN1; SMN2L3MBTL1ACKR3KMT2A
SCHEMBL27917155 0.79 ALDH1A1 (0.52) SMYD3SMN1; SMN2L3MBTL1NPC1RAB9A
SCHEMBL9651228 0.78 SIGMAR1 (0.61) L3MBTL1ACKR3
SCHEMBL5202785 0.75
SCHEMBL22372185 0.75 MAPK14 (0.49)

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108117546-A ATP-binding cassette transport protein conditioning agent 弗特克斯药品有限公司 2018-06-05 CN disclosed
US-8476445-B2 Process for production of piperidine derivatives ALBANY MOLECULAR RESEARCH, INC. (US) 2013-07-02 US disclosed
US-20100137605-A1 PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES ALBANY MOLECULAR RESEARCH, INC. (US) 2010-06-03 US disclosed
US-7678915-B2 Process for production of piperidine derivatives ALBANY MOLECULAR RESEARCH, INC. (US) 2010-03-16 US disclosed
US-20070010677-A1 Process for production of piperidine derivatives AMR TECHNOLOGY, INC. (US) 2007-01-11 US disclosed
US-20050209279-A1 Process for production of piperidine derivatives AMR TECHNOLOGY, INC. (US) 2005-09-22 US disclosed
US-6919458-B2 Process for production of piperidine derivatives AMR TECHNOLOGY, INC. (US) 2005-07-19 US disclosed
EP-0868182-B1 PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES ALBANY MOLECULAR RES INC (US) 2003-09-03 EP disclosed
US-20030028029-A1 Process for production of piperidine derivatives BARCLAYS BANK PLC, AS THE COLLATERAL AGENT 2003-02-06 US disclosed
US-6458958-B1 PROCESS OF PREPARING A PIPERIDINE DERIVATIVE COMPOUND OF THE FORMULA: ACYLATING AN .ALPHA.,.ALPHA.-DISUBSTITUTED-METHYLBENZENE DERIVATIVE HAVING THE FORMULA: ALBANY MOLECULAR RESEARCH, INC. 2002-10-01 US disclosed
US-6444824-B1 ANTISEROTONINE AGENTS; SIDE EFFECT REDUCTION ALBANY MOLECULAR RESEARCH, INC. 2002-09-03 US disclosed
US-6153754-A Process for production of piperidine derivatives ALBANY MOLECULAR RESEARCH, INC. (US) 2000-11-28 US disclosed
EP-0868182-A4 PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES ALBANY MOLECULAR RES INC (US) 1999-04-07 EP disclosed
EP-0868182-A1 PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES ALBANY MOLECULAR RESEARCH, INC. (US) 1998-10-07 EP disclosed
WO-1997023213-A1 PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES ALBANY MOLECULAR RESEARCH, INC. (US) 1997-07-03 WO 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 (4 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-20100137605-A1 PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES HPD, PTMA, HAAO SMYD3 1206/4885SMN1; SMN2 2845/4885L3MBTL1 4045/4885
US-20050209279-A1 Process for production of piperidine derivatives NR5A2, NR4A1, NR4A2 SMYD3 725/4885SMN1; SMN2 3072/4885L3MBTL1 3769/4885
US-20070010677-A1 Process for production of piperidine derivatives NR4A1, NR5A2, NR4A2 SMYD3 668/4885SMN1; SMN2 3353/4885L3MBTL1 4065/4885
US-20030028029-A1 Process for production of piperidine derivatives NR4A1, RCOR1, CBR1 SMYD3 651/4885SMN1; SMN2 2554/4885L3MBTL1 4263/4885

“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.