SCHEMBL7915872

SCHEMBL7915872

CN(C)CCn1ccnc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.56
EGLN3 Q9H6Z9 1/20 0.47
PRKCI P41743 1/20 0.46
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP19A1 P11511 1/20 0.42
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL9171754 0.98 TBXAS1 (0.54) TBXAS1EGLN3PRKCICYP11B1CYP11B2
SCHEMBL413786 0.88 TBXAS1 (0.63) TBXAS1PRKCIKMT2A
SCHEMBL15095689 0.84 TBXAS1 (0.70) TBXAS1PRKCIKMT2A
SCHEMBL28560260 0.81 TBXAS1 (0.55) TBXAS1EGLN3PRKCICYP11B1CYP11B2
SCHEMBL18369732 0.80 TBXAS1 (0.48) TBXAS1EGLN3PRKCICYP11B1CYP11B2
SCHEMBL19766923 0.79 TBXAS1 (0.63) TBXAS1PRKCIKMT2A
Hydrochloric Acid SCHEMBL8857546 0.79 TBXAS1 (0.53) TBXAS1EGLN3PRKCIKDM4EALDH1A1
SCHEMBL16219325 0.79 TBXAS1 (0.53) TBXAS1EGLN3PRKCICYP11B1CYP11B2
Formic Acid SCHEMBL28717145 0.79 TBXAS1 (0.52) TBXAS1EGLN3PRKCI
SCHEMBL4773938 0.78 TBXAS1 (0.75) TBXAS1EGLN3PRKCICYP11B1CYP11B2

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
US-20240209138-A1 PRODUCTION OF HARD POLYURETHANE OR POLYISOCYANURATE FOAM EVONIK OPERATIONS GMBH (DE) 2024-06-27 US disclosed
CN-109563050-B Amide salt compound, catalyst for polyurethane production and method for producing polyurethane resin 广荣化学株式会社 2023-06-02 CN disclosed
CN-110475765-B Preparation method of amide compound 广荣化学株式会社 2023-04-07 CN disclosed
EP-3604287-B1 PRODUCTION METHOD FOR AMIDATE COMPOUND KOEI CHEMICAL CO (JP) 2022-08-03 EP disclosed
CN-114516787-A Phenol compound, conductive paste composition, method for producing conductive paste composition, conductive wiring, and method for producing conductive wiring 信越化学工业株式会社 2022-05-20 CN disclosed
CN-114478987-A Polyurethane, method for producing polyurethane, conductive paste composition, conductive wiring, and method for producing conductive wiring 信越化学工业株式会社 2022-05-13 CN disclosed
EP-3495353-B1 AMIDATE COMPOUND, CATALYST FOR POLYURETHANE PRODUCTION, AND METHOD FOR PRODUCING POLYURETHANE RESIN KOEI CHEMICAL CO (JP) 2021-11-17 EP disclosed
US-10913724-B2 Production method for amidate compound KOEI CHEMICAL COMPANY, LIMITED (JP) 2021-02-09 US disclosed
US-10689478-B2 Amidate compound, catalyst for polyurethane production, and method for producing polyurethane resin KOEI CHEMICAL COMPANY, LIMITED (JP) 2020-06-23 US disclosed
EP-3604287-A1 PRODUCTION METHOD FOR AMIDATE COMPOUND Koei Chemical Company, Limited (JP) 2020-02-05 EP disclosed
CN-110475765-A The preparation method of amides compound KOEI CHEMICAL CO 2019-11-19 CN disclosed
US-20190177464-A1 AMIDATE COMPOUND, CATALYST FOR POLYURETHANE PRODUCTION, AND METHOD FOR PRODUCING POLYURETHANE RESIN KOEI CHEMICAL COMPANY, LIMITED (JP) 2019-06-13 US disclosed
EP-3495353-A1 AMIDATE COMPOUND, CATALYST FOR POLYURETHANE PRODUCTION, AND METHOD FOR PRODUCING POLYURETHANE RESIN Koei Chemical Company, Limited (JP) 2019-06-12 EP disclosed
US-20170008888-A1 HETEROCYCLIC COMPOUNDS ACTIVX BIOSCIENCES, INC. 2017-01-12 US disclosed
US-8557979-B2 Carbapenem antibacterials with gram-negative activity and processes for their preparation FOB SYNTHESIS, INC. (US) 2013-10-15 US disclosed
US-6218070-B1 USING ONIUM COMPOUND AGFA-GEVAERT, N.V. (BE) 2001-04-17 US disclosed
EP-0618491-B1 Method for generation of negative images having ultrahigh contrast DU PONT DEUTSCHLAND (DE) 1997-08-27 EP disclosed
EP-0618491-A1 Method for generation of negative images having ultrahigh contrast DU PONT DE NEMOURS (DEUTSCHLAND) GMBH (DE) 1994-10-05 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 (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-10913724-B2 Production method for amidate compound NAAA, PAM, CCKBR TBXAS1 1001/4885EGLN3 375/4885PRKCI 4160/4885
US-20170008888-A1 HETEROCYCLIC COMPOUNDS BET1, EP300, RBBP5 TBXAS1 385/4885EGLN3 1729/4885PRKCI 761/4885
US-10689478-B2 Amidate compound, catalyst for polyurethane production, and method for producing polyurethane resin ARG1, NIT2, RER1 TBXAS1 536/4885EGLN3 207/4885PRKCI 4132/4885
US-20190177464-A1 AMIDATE COMPOUND, CATALYST FOR POLYURETHANE PRODUCTION, AND METHOD FOR PRODUCING POLYURETHANE RESIN ARG1, NIT2, RER1 TBXAS1 536/4885EGLN3 207/4885PRKCI 4132/4885

“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.