SCHEMBL2984209

SCHEMBL2984209

Nc1ccccc1C1CCc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.48
ADRA1A P35348 1/20 0.47
CYP11B2 P19099 4/20 0.46
HTR6 P50406 3/20 0.45
PDPK1 O15530 1/20 0.44
SIGMAR1 Q99720 1/20 0.42
RET P07949 1/20 0.42
HTR2A P28223 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CYP19A1 P11511 3/20 0.41
CYP17A1 P05093 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
SCHEMBL11696770 0.89 IDO1 (0.51) IDO1ADRA1AHTR6RETHTR2A
SCHEMBL78935 0.87 IDO1 (0.44) IDO1ADRA1ACYP11B2HTR6PDPK1
SCHEMBL10500854 0.84 HTR6 (0.50) IDO1ADRA1ACYP11B2HTR6PDPK1
SCHEMBL133896 0.80 HTR2A (0.49) IDO1ADRA1ACYP11B2PDPK1SIGMAR1
SCHEMBL14283849 0.78 DRD1 (0.47) ADRA1A
SCHEMBL10492671 0.78 IDO1 (0.40) IDO1ADRA1ACYP11B2HTR6PDPK1
SCHEMBL10492532 0.78 HTR6 (0.41) IDO1ADRA1ACYP11B2HTR6PDPK1
SCHEMBL9614919 0.77 HTR6 (0.54) IDO1ADRA1ACYP11B2HTR6SIGMAR1
SCHEMBL8849605 0.76 DDB1 (0.53) IDO1ADRA1ACYP11B2PDPK1SIGMAR1
SCHEMBL5710152 0.76 PIN1 (0.51) IDO1ADRA1ACYP11B2PDPK1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0143075-B1 PROCESS FOR THE PREPARATION OF N-GLYCIDYL COMPOUNDS CIBA-GEIGY AG (CH) 1987-11-19 EP claimed
EP-0099338-B1 EPOXY RESIN SYSTEMS MODIFIED WITH THERMOPLASTIC RESINS CIBA-GEIGY AG (CH) 1986-05-14 EP claimed
US-4540769-A NITRATE, PERCHLORATE, ALPHA-HALO CARBOXYLATE OR SULFONATE CIBA-GEIGY CORPORATION (US) 1985-09-10 US claimed
EP-0143075-A1 Process for the preparation of N-glycidyl compounds CIBA-GEIGY AG (CH) 1985-05-29 EP claimed
US-8076495-B2 Aromatic N-glycidylamines by catalysis of an aromatic aminehydrogen and epichlorohydrin using a lanthanum nitrate as a catalyst dissolved in propylene carbonate, then dehydrochlorinating HUNTSMAN ADVANCED MATERIALS AMERICAS LLC (US) 2011-12-13 US disclosed
US-20100179114-A1 S-Isomer of 2- piperidine and Other Dermal Anesthetic Agents BRIDGE PHARMA, INC. (US) 2010-07-15 US disclosed
US-7718674-B2 Methods of relieving neuropathic pain with the S-isomer of 2-{2[N-(2-indanyl)-N-phenylamino]ethyl}piperidine BRIDGE PHARMA, INC. (US) 2010-05-18 US disclosed
US-20080221342-A1 Process HUNTSMAN ADVANCED MATERIALS AMERICANS INC. (US) 2008-09-11 US disclosed
CN-100400525-C Process for the preparation of n-glycidylamines HUNTSMAN ADV MAT SWITZERLAND (CH) 2008-07-09 CN disclosed
EP-1656363-B1 PROCESS FOR THE PREPARATION OF N-GLYCIDYLAMINES HUNTSMAN ADV MAT SWITZERLAND (CH) 2007-10-10 EP disclosed
CN-1812976-A Process for the preparation of n-glycidylamines HUNTSMAN ADV MAT SWITZERLAND (CH) 2006-08-02 CN disclosed
EP-1656363-A2 PROCESS FOR THE PREPARATION OF N-GLYCIDYLAMINES Huntsman Advanced Materials (Switzerland) GmbH (CH) 2006-05-17 EP disclosed
US-20060079559-A1 S-isomer of 2-{2[N-(2-indanyl)-N-phenylamino]ethyl}piperidine and other dermal anesthetics BRIDGE PHARMA, INC. (US) 2006-04-13 US disclosed
WO-2006036936-A2 THE S-ISOMER OF 2-{2-[N-(2-INDANYL)-N-PHENYLAMINO]ETHYL}PIPERIDINE AND OTHER DERMAL ANESTHETIC AGENTS BRIDGE PHARMA, INC. (US) 2006-04-06 WO disclosed
WO-2005003109-A2 PROCESS FOR THE PREPARATION OF N-GLYCIDYLAMINES HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2005-01-13 WO disclosed
EP-0143075-B1 PROCESS FOR THE PREPARATION OF N-GLYCIDYL COMPOUNDS CIBA-GEIGY AG (CH) 1987-11-19 EP disclosed
US-4540769-A NITRATE, PERCHLORATE, ALPHA-HALO CARBOXYLATE OR SULFONATE CIBA-GEIGY CORPORATION (US) 1985-09-10 US disclosed
EP-0143075-A1 Process for the preparation of N-glycidyl compounds CIBA-GEIGY AG (CH) 1985-05-29 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-20100179114-A1 S-Isomer of 2- piperidine and Other Dermal Anesthetic Agents TRPA1, OPRL1, OPRM1 IDO1 445/4885ADRA1A 42/4885CYP11B2 1217/4885
US-20080221342-A1 Process PAH, TET2, PAM IDO1 151/4885ADRA1A 702/4885CYP11B2 36/4885
US-20060079559-A1 S-isomer of 2-{2[N-(2-indanyl)-N-phenylamino]ethyl}piperidine and other dermal anesthetics OPRL1, TRPA1, OPRM1 IDO1 129/4885ADRA1A 35/4885CYP11B2 738/4885

“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.