SCHEMBL445133

SCHEMBL445133

O=C1N[C@H](c2ccccc2)CO1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
AR P10275 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CA2 P00918 1/20 0.40
TSHR P16473 1/20 0.40
CYP19A1 P11511 2/20 0.40
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
BRD4 O60885 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
GFER P55789 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL4562 1.00 SMN1; SMN2 (0.42) SMN1; SMN2ARALDH1A1CA2TSHR
SCHEMBL4563 1.00 SMN1; SMN2 (0.42) SMN1; SMN2ARALDH1A1CA2TSHR
SCHEMBL16106147 1.00 SMN1; SMN2 (0.42) SMN1; SMN2ARALDH1A1CA2TSHR
SCHEMBL2909384 0.98 AR (0.41) SMN1; SMN2ARALDH1A1CA2TSHR
SCHEMBL14831166 0.89 TAAR1 (0.41) ARALDH1A1KMT2AMEN1BRD4
SCHEMBL14831167 0.89 TAAR1 (0.41) ARALDH1A1KMT2AMEN1BRD4
SCHEMBL16363903 0.85 KDM4E (0.37) ARALDH1A1CYP19A1KMT2AMEN1
SCHEMBL4532571 0.82 AR (0.41) SMN1; SMN2ARTSHRCYP19A1BRD4
SCHEMBL28983077 0.82 DGAT1 (0.48) SMN1; SMN2ALDH1A1TSHRKMT2ALMNA
SCHEMBL28983075 0.82 DGAT1 (0.48) SMN1; SMN2ALDH1A1TSHRKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117947523-A Chiral organic-inorganic hybrid lead halide nonlinear frequency doubling crystal 南开大学 2024-04-30 CN claimed
CN-114957335-B Method for preparing chiral metal halide from achiral precursor through chiral induction 南开大学 2024-04-05 CN claimed
WO-2024040267-A2 DIRECT SYNTHESIS OF N-(3-SUBSTITUTED-CHROMAN-4-YL)-7H- PYRROLO[2,3-D]PYRIMIDIN-4-AMINES AND DERIVATIVES THEREOF MITOKININ, INC. (US) 2024-02-22 WO claimed
CN-115960054-A Preparation method of ezetimibe intermediate 南通常佑药业科技有限公司 2023-04-14 CN claimed
CN-114957335-A Method for preparing chiral metal halide from achiral precursor by chiral induction 南开大学 2022-08-30 CN claimed
CN-114516866-A Preparation method of chiral 4-alkyl-pyrrole-3-formic acid compound 南京卓康医药科技有限公司 2022-05-20 CN claimed
CN-109115914-B High performance liquid chromatography method for separating ramosetron hydrochloride and S-type enantiomer thereof 四川中科微纳科技有限公司 2021-06-04 CN claimed
CN-109320441-B Method for efficiently preparing alkynylamide compound 江西师范大学 2021-01-26 CN claimed
WO-2019077627-A1 A PROCESS FOR THE MANUFACTURE OF POSACONAZOLE METROCHEM API PVT LTD. (IN) 2019-04-25 WO claimed
US-10093625-B2 Process for the preparation of [[2(S)-[[4(R)-(3-hydroxyphenyl)-3(R),4-dimethyl-1-piperidinyl]methyl]-1-oxo-3-phenylpropyl]amino]acetic acid dihydrate MSN LABORATORIES PRIVATE LIMITED (IN) 2018-10-09 US claimed
WO-2015059716-A2 IMPROVED PROCESS FOR THE PREPARATION OF ((3S,5R)-5-((1H-1,2,4-TRIAZOL-1-YL)METHYL)-5-(2,4-DIFLUOROPHENYL)TETRAHYDROFURAN-3-YL)METHYL-4-METHYLBENZENESULFONATE MSN LABORATORIES PRIVATE LIMITED (IN) 2015-04-30 WO claimed
CN-102477016-B Synthesis and application of intermediate of tapentadol INST MATERIA MEDICA CAMS 2014-12-17 CN claimed
US-20140343285-A1 Process for the Preparation of Triazole Antifungal Drug, Its Intermediates and Polymorphs Thereof MSN LABORATORIES LIMITED (IN) 2014-11-20 US claimed
EP-2758385-A2 PROCESS FOR THE PREPARATION OF TRIAZOLE ANTIFUNGAL DRUG, ITS INTERMEDIATES AND POLYMORPHS THEREOF MSN Laboratories Limited (IN) 2014-07-30 EP claimed
WO-2013042138-A2 PROCESS FOR THE PREPARATION OF TRIAZOLE ANTIFUNGAL DRUG, ITS INTERMEDIATES AND POLYMORPHS THEREOF MSN LABORATORIES LIMITED (IN) 2013-03-28 WO claimed
CN-102477016-A Synthesis and application of intermediate of tapentadol INST MATERIA MEDICA CAMS 2012-05-30 CN claimed
US-7517876-B2 Anti-infective agents ABBOTT LABORATORIES (US) 2009-04-14 US claimed
US-20060287300-A1 Anti-infective agents ABBVIE INC. 2006-12-21 US claimed
WO-2006093801-A1 THIADIAZINE DERIVATIVES USEFUL AS ANTI-INFECTIVE AGENTS ABBOTT LABORATORIES (US) 2006-09-08 WO claimed
US-6660879-B2 Use of the compound in clinical conditions associated with insulin resistance. ASTRAZENECA AB (SE) 2003-12-09 US claimed

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-20060287300-A1 Anti-infective agents RPL5, POLI, RPL35 SMN1; SMN2 4518/4885AR 4825/4885ALDH1A1 2009/4885
US-10093625-B2 Process for the preparation of [[2(S)-[[4(R)-(3-hydroxyphenyl)-3(R),4-dimethyl-1-piperidinyl]methyl]-1-oxo-3-phenylpropyl]amino]acetic acid dihydrate HPD, HCAR2, GRHPR SMN1; SMN2 3371/4885AR 604/4885ALDH1A1 6/4885
US-20140343285-A1 Process for the Preparation of Triazole Antifungal Drug, Its Intermediates and Polymorphs Thereof CYP3A4, CYP51A1, CYP1B1 SMN1; SMN2 4425/4885AR 3441/4885ALDH1A1 372/4885

“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.