SCHEMBL9682953

SCHEMBL9682953

N[C@@H](CO)c1ccc(O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.48
NFKB1 P19838 2/20 0.48
HIF1A Q16665 2/20 0.48
HTR3A P46098 1/20 0.48
TSHR P16473 1/20 0.48
ALOX15 P16050 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
KDM4E B2RXH2 2/20 0.46
APEX1 P27695 1/20 0.46
ESR1 P03372 8/20 0.44
SLC6A2 P23975 2/20 0.44
LMNA P02545 2/20 0.44
CYP3A4 P08684 2/20 0.44
MAPT P10636 2/20 0.44
CYP1A2 P05177 1/20 0.44
PGR P06401 1/20 0.44
CHRM2 P08172 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
AR P10275 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
SCHEMBL25354683 1.00 TAAR1 (0.48) TAAR1NFKB1HIF1AHTR3ATSHR
SCHEMBL3041323 1.00 TAAR1 (0.48) TAAR1NFKB1HIF1AHTR3ATSHR
Hydrochloric Acid SCHEMBL15797891 0.98 ALOX15 (0.50) TAAR1NFKB1HIF1AHTR3ATSHR
Hydrochloric Acid SCHEMBL10616555 0.98 ALOX15 (0.50) TAAR1NFKB1HIF1AHTR3ATSHR
SCHEMBL1444985 0.89 ANPEP (0.41) TAAR1NFKB1HIF1AHTR3ATSHR
SCHEMBL6572701 0.81 TAAR1 (0.45) TAAR1NFKB1HIF1AHTR3ATSHR
SCHEMBL15858513 0.80 TAAR1 (0.60) TAAR1NFKB1HIF1AHTR3ATSHR
SCHEMBL10864211 0.80 MEN1 (0.40) HIF1ATSHRALOX15TDP1CYP3A4
SCHEMBL17135378 0.78 TAAR1 (0.46) TAAR1NFKB1HIF1AHTR3ATSHR
SCHEMBL3855923 0.78 IDO1 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150315130-A1 New positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2015-11-05 US claimed
EP-2928860-A1 NEW POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. Lundbeck A/S (DK) 2015-10-14 EP claimed
WO-2014090731-A1 NEW POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. LUNDBECK A/S (DK) 2014-06-19 WO claimed
US-11746091-B2 Cannabinoid receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2023-09-05 US disclosed
US-20230033510-A1 Compounds and Methods for Treatment of Visceral Pain ARENA PHARMACEUTICALS, INC. 2023-02-02 US disclosed
US-11214548-B2 Cannabinoid receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2022-01-04 US disclosed
US-20210188781-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2021-06-24 US disclosed
US-20200078358-A1 Compounds and Methods for Treatment of Visceral Pain ARENA PHARMACEUTICALS, INC. 2020-03-12 US disclosed
US-20180354907-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2018-12-13 US disclosed
EP-3363788-A1 CANNABINOID RECEPTOR MODULATORS Arena Pharmaceuticals, Inc. (US) 2018-08-22 EP disclosed
US-9944606-B2 Cannabinoid receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2018-04-17 US disclosed
EP-2470508-A1 CANNABINOID RECEPTOR MODULATORS Arena Pharmaceuticals, Inc. (US) 2012-07-04 EP disclosed
US-20110275784-A1 ASYMMETRIC SYNTHESIS OF PEPTIDES UNIVERSITY OF READING 2011-11-10 US disclosed
US-20110275784-A1 ASYMMETRIC SYNTHESIS OF PEPTIDES UNIVERSITY OF READING 2011-11-10 US disclosed
US-8044173-B2 Asymmetric synthesis of peptides UNIVERSITY OF READING (GB) 2011-10-25 US disclosed
US-8044173-B2 Asymmetric synthesis of peptides UNIVERSITY OF READING (GB) 2011-10-25 US disclosed
US-20080281075-A1 ASYMMETRIC SYNTHESIS OF PEPTIDES UNIVERSITY OF READING (GB) 2008-11-13 US disclosed
US-20080281075-A1 ASYMMETRIC SYNTHESIS OF PEPTIDES UNIVERSITY OF READING (GB) 2008-11-13 US disclosed
US-5128369-A Antiallergens, bronchodilator agents KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-07-07 US disclosed
EP-0404197-A2 Arylalkylamine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-12-27 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 (9 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-20150315130-A1 New positive allosteric modulators of nicotinic acetylcholine receptor CHRNG, CHRNA7, CHRNA1 TAAR1 373/4885NFKB1 2904/4885HIF1A 4501/4885
US-20200078358-A1 Compounds and Methods for Treatment of Visceral Pain VIP, FABP2, FABP6 TAAR1 1885/4885NFKB1 604/4885HIF1A 1473/4885
US-20110275784-A1 ASYMMETRIC SYNTHESIS OF PEPTIDES PTMS, NGLY1, QPCT TAAR1 1041/4885NFKB1 2368/4885HIF1A 3760/4885
US-20180354907-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, TRPV1 TAAR1 982/4885NFKB1 1138/4885HIF1A 228/4885
US-20080281075-A1 ASYMMETRIC SYNTHESIS OF PEPTIDES PTMS, NGLY1, QPCT TAAR1 1041/4885NFKB1 2368/4885HIF1A 3760/4885
US-11746091-B2 Cannabinoid receptor modulators CNR1, CNR2, TRPV1 TAAR1 982/4885NFKB1 1138/4885HIF1A 228/4885
US-11214548-B2 Cannabinoid receptor modulators CNR1, CNR2, TRPV1 TAAR1 982/4885NFKB1 1138/4885HIF1A 228/4885
US-20230033510-A1 Compounds and Methods for Treatment of Visceral Pain VIP, FABP2, FABP6 TAAR1 1885/4885NFKB1 604/4885HIF1A 1473/4885
US-20210188781-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, TRPV1 TAAR1 982/4885NFKB1 1138/4885HIF1A 228/4885

“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.