SCHEMBL42067

SCHEMBL42067

CCC(N)(O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.46
TAAR1 Q96RJ0 1/20 0.43
CYP2C19 P33261 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2D6 P10635 2/20 0.41
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
KIF11 P52732 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL28065526 1.00 KCNN4 (0.46) KCNN4TAAR1CYP2C19CYP1A2CYP2C9
SCHEMBL5085651 1.00 KCNN4 (0.46) KCNN4TAAR1CYP2C19CYP1A2CYP2C9
Ammonia Solution, Strong SCHEMBL28061497 0.98 KCNN4 (0.44) KCNN4TAAR1CYP2C19CYP1A2CYP2C9
SCHEMBL8370180 0.84 KCNN4 (0.44) KCNN4TAAR1CYP2C19CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL326016 0.82 SMN1; SMN2 (0.46) KCNN4TAAR1CYP2C19CYP1A2CYP2C9
SCHEMBL28049734 0.79 ESR1 (0.58) CYP2C19CYP1A2CYP2C9CYP2D6ALDH1A1
SCHEMBL18106924 0.79 MAPT (0.46) CYP1A2ALDH1A1TSHRMAPTKMT2A
SCHEMBL2790358 0.78 TAAR1 (0.50) KCNN4TAAR1CYP2C19CYP1A2CYP2C9
SCHEMBL28018766 0.78 CYP2C19 (0.43) KCNN4TAAR1CYP2C19CYP1A2CYP2C9
SCHEMBL25366361 0.77 TAAR1 (0.45) KCNN4TAAR1CYP2C19CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115066420-A Optically resolved Trolox intermediates and process for producing the same 住友制药株式会社 2022-09-16 CN claimed
CN-110556578-A Electrolyte additive, electrolyte containing electrolyte additive and application of electrolyte in lithium ion battery FUJIAN INST RES STR MATTER CAS 2019-12-10 CN claimed
CN-110297043-A A kind of analysis method of 2- methylamino -1- phenyl-1-propanol 上海医药工业研究院 2019-10-01 CN claimed
CN-107630049-B The biological preparation method of ephedrine 武汉茵茂特生物技术有限公司 2018-09-21 CN claimed
CN-107630050-A The biological preparation method of pseudoephedrine 武汉茵茂特生物技术有限公司 2018-01-26 CN claimed
CN-103717604-B Replace aminooimidazole and pyridazine BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-01 CN claimed
CN-103717604-A Substituted aminoimidazopyridazines BAYER IP GMBH 2014-04-09 CN claimed
EP-2019679-A2 GLUCOSE TRANSPORT INHIBITORS AND METHODS OF USE Theracos, Inc. (US) 2009-02-04 EP claimed
WO-2007140191-A2 GLUCOSE TRANSPORT INHIBITORS AND METHODS OF USE THERACOS, INC. (US) 2007-12-06 WO claimed
US-4416828-A Process for the resolution of the racemate S-(carboxymethyl)-(RS)-cysteine (A) DEGUSSA AKTIENGESELLSCHAFT (DE) 1983-11-22 US claimed
US-4045450-A Optical resolution of DL-pantolactone ALPS PHARMACEUTICAL IND. CO., LTD. (JA) 1977-08-30 US claimed
JP-62070346-A None JP disclosed
CN-115066420-B Optically resolved Trolox intermediates and methods of making the same PTC医疗公司 2024-12-10 CN disclosed
CN-111295373-B Compositions and methods for treating brain injury 阿泽凡药物公司 2024-12-10 CN disclosed
US-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS, INC. (US) 2024-04-11 US disclosed
US-4045450-A Optical resolution of DL-pantolactone ALPS PHARMACEUTICAL IND. CO., LTD. (JA) 1977-08-30 US disclosed
US-4045450-A Optical resolution of DL-pantolactone ALPS PHARMACEUTICAL IND. CO., LTD. (JA) 1977-08-30 US disclosed
US-3959302-A Process for the splitting of the racemate of d-1-phenylpropanolamine DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1976-05-25 US disclosed
US-3959302-A Process for the splitting of the racemate of d-1-phenylpropanolamine DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1976-05-25 US disclosed
US-3947464-A Salts of phenylpropanolamine with thiazolidine carboxylic acids DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1976-03-30 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-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY FABP7, PYGB, CHAT KCNN4 3169/4885TAAR1 3840/4885CYP2C19 3608/4885

“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.