SCHEMBL4282969

SCHEMBL4282969

N[C@@H](O)CCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.57
ERAP1 Q9NZ08 2/20 0.57
ERAP2 Q6P179 1/20 0.57
METAP2 P50579 1/20 0.49
METAP1 P53582 1/20 0.49
CYP2A6 P11509 1/20 0.48
HTR2A P28223 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
EPHX1 P07099 1/20 0.46
ACP3 P15309 1/20 0.46
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL1760865 1.00 ANPEP (0.57) ANPEPERAP1ERAP2METAP2METAP1
SCHEMBL194645 1.00 ANPEP (0.57) ANPEPERAP1ERAP2METAP2METAP1
Hydrochloric Acid SCHEMBL28675057 0.98 ANPEP (0.55) ANPEPERAP1ERAP2METAP2METAP1
Hydrochloric Acid SCHEMBL20590185 0.98 ANPEP (0.55) ANPEPERAP1ERAP2METAP2METAP1
Hydrochloric Acid SCHEMBL16988 0.98 ANPEP (0.55) ANPEPERAP1ERAP2METAP2METAP1
Sulfuric Acid SCHEMBL1605647 0.90 BLM (0.55) ANPEPERAP1ERAP2METAP2METAP1
Nitric Acid SCHEMBL7055225 0.87 ANPEP (0.50) ANPEPERAP1ERAP2METAP2METAP1
SCHEMBL7998233 0.86 GRIK1 (0.54) ANPEPERAP1ERAP2HTR2ASMN1; SMN2
SCHEMBL456442 0.86 GRIK1 (0.54) ANPEPERAP1ERAP2HTR2ASMN1; SMN2
SCHEMBL14544283 0.86 GRIK1 (0.54) ANPEPERAP1ERAP2HTR2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113880721-B Synthesis method of dapoxetine 湖南九典制药股份有限公司 2024-05-28 CN claimed
CN-113880721-A Synthetic method of dapoxetine 湖南九典制药股份有限公司 2022-01-04 CN claimed
EP-1250119-B1 REDUCTION OF HAIR GROWTH GILLETTE CO (US) 2007-10-03 EP claimed
US-6235737-B1 APPLYING COMPOUND TO ADJUST CERAMIDE CONCENTRATION GILLETTE COMPANY, THE 2001-05-22 US claimed
CN-113880721-B Synthesis method of dapoxetine 湖南九典制药股份有限公司 2024-05-28 CN disclosed
CN-113880721-B Synthesis method of dapoxetine 湖南九典制药股份有限公司 2024-05-28 CN disclosed
CN-113880721-A Synthetic method of dapoxetine 湖南九典制药股份有限公司 2022-01-04 CN disclosed
CN-113880721-A Synthetic method of dapoxetine 湖南九典制药股份有限公司 2022-01-04 CN disclosed
US-8937100-B2 Cosmetic composition containing calcium citrate and N-acylated aminoalcohol derivative COGNIS IP MANAGEMENT GMBH (DE) 2015-01-20 US disclosed
US-20140086863-A1 Cosmetic Composition COGNIS IP MANAGEMENT GMBH (DE) 2014-03-27 US disclosed
US-8592484-B2 Cosmetic composition containing calcium citrate and N-acylated aminoalcohol derivative to prevent dry skin and signs of cutaneous ageing COGNIS IP MANAGEMENT GMBH (DE) 2013-11-26 US disclosed
CN-101531668-A (3s)-3-benzyl-7a-(trifluoromethyl) tetrahydropyrrolo [2, 1-b] oxazole-5(6H)-ketone and synthetic method thereof UNIV SHANGHAI 2009-09-16 CN disclosed
US-20090143279-A1 Methods and compositions for treating metabolic disorders PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-06-04 US disclosed
WO-2008132128-A2 SYNTHESIS OF A PHARMACEUTICALLY ACTIVE COMPOUND Solvay (Société Anonyme) (BE) 2008-11-06 WO disclosed
EP-1250119-B1 REDUCTION OF HAIR GROWTH GILLETTE CO (US) 2007-10-03 EP disclosed
US-6235737-B1 APPLYING COMPOUND TO ADJUST CERAMIDE CONCENTRATION GILLETTE COMPANY, THE 2001-05-22 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 (2 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-20090143279-A1 Methods and compositions for treating metabolic disorders PC, PCK2, CS ANPEP 3524/4885ERAP1 1009/4885ERAP2 833/4885
US-20140086863-A1 Cosmetic Composition ASAH2, ASAH1, GLA ANPEP 365/4885ERAP1 189/4885ERAP2 187/4885

“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.