SCHEMBL457993

SCHEMBL457993

Cc1ccccc1C(=O)NC1CC1

nearest known ligand 0.84

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.84
RAB9A P51151 2/20 0.84
SMN1; SMN2 Q16637 2/20 0.68
GLA P06280 1/20 0.68
POLB P06746 4/20 0.65
KMT2A Q03164 5/20 0.62
MEN1 O00255 3/20 0.62
ALDH1A1 P00352 3/20 0.62
ALOX15 P16050 1/20 0.60
GAA P10253 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
P2RX7 Q99572 1/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56

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
SCHEMBL23573548 0.95 NPC1 (0.77) NPC1RAB9ASMN1; SMN2GLAPOLB
SCHEMBL23573547 0.95 NPC1 (0.77) NPC1RAB9ASMN1; SMN2GLAPOLB
SCHEMBL13162623 0.93 NPC1 (0.74) NPC1RAB9ASMN1; SMN2GLAPOLB
SCHEMBL13162370 0.93 NPC1 (0.74) NPC1RAB9ASMN1; SMN2GLAPOLB
SCHEMBL15888660 0.93 NPC1 (0.74) NPC1RAB9ASMN1; SMN2GLAPOLB
SCHEMBL13162659 0.93 NPC1 (0.97) NPC1RAB9ASMN1; SMN2GLAPOLB
SCHEMBL13162641 0.93 NPC1 (0.90) NPC1RAB9ASMN1; SMN2GLAPOLB
SCHEMBL13634548 0.92 NPC1 (0.72) NPC1RAB9ASMN1; SMN2GLAPOLB
SCHEMBL13164044 0.92 NPC1 (0.72) NPC1RAB9ASMN1; SMN2GLAPOLB
SCHEMBL8198182 0.91 NPC1 (1.00) NPC1RAB9ASMN1; SMN2GLAPOLB

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 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103649087-A Substituted imidazopyridines and intermediates thereof BAYER IP GMBH 2014-03-19 CN claimed
CN-103582632-A Substituted benzimidazoles Bayer Pharma AG 2014-02-12 CN claimed
WO-2014020041-A1 COMBINATIONS FOR THE TREATMENT OF CANCER BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-02-06 WO claimed
EP-2614063-A1 SUBSTITUTED IMIDAZOPYRIDAZINES Bayer Intellectual Property GmbH (DE) 2013-07-17 EP claimed
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO claimed
EP-1501830-B1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2011-10-05 EP claimed
CN-115710287-B Ring-opening boronation reaction method for cyclopropane compound under no metal catalysis 中国科学院兰州化学物理研究所 2024-01-09 CN disclosed
CN-115710287-A Ring-opening boronization reaction method of cyclopropane compound under condition of no metal catalysis 中国科学院兰州化学物理研究所 2023-02-24 CN disclosed
EP-3169662-B1 SUBSTITUTED VINYL- AND ALKINYL-CYANOCYCLOALKANOLS AND VINYL- AND ALKINYL-CYANOHETEROCYCLOALKANOLS AS AGENTS TO COMBAT ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2018-07-11 EP disclosed
US-20170305912-A1 PROCESS FOR THE PREPARATION OF 3-PHENYL/HETEROARYL-6-PHENOXY-8-ALKYLAMINO-IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-10-26 US disclosed
EP-2961752-B1 SUBSTITUTED IMIDAZOPYRIDAZINES Bayer Pharma AG (DE) 2017-09-13 EP disclosed
US-9512130-B2 Substituted imidazopyridazines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-06 US disclosed
US-9512126-B2 Substituted imidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-12-06 US disclosed
US-20070259854-A1 Triazole Derivative or Salt Thereof ASTELLAS PHARMA INC. (JP) 2007-11-08 US disclosed
CN-101014578-A Triazole derivative or salt thereof ASTELLAS PHARMA INC (JP) 2007-08-08 CN disclosed
EP-1790641-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2007-05-30 EP disclosed
US-7179802-B2 11-beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2007-02-20 US disclosed
US-7179802-B2 11-beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2007-02-20 US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 EP 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-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 NPC1 1159/4885RAB9A 2274/4885SMN1; SMN2 3569/4885
US-20070259854-A1 Triazole Derivative or Salt Thereof HSD11B1, HSD11B2, HSD3B1 NPC1 566/4885RAB9A 2981/4885SMN1; SMN2 3427/4885
US-20170305912-A1 PROCESS FOR THE PREPARATION OF 3-PHENYL/HETEROARYL-6-PHENOXY-8-ALKYLAMINO-IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES TTBK1, TTK, TTBK2 NPC1 2377/4885RAB9A 2878/4885SMN1; SMN2 1460/4885

“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.