SCHEMBL2091303

SCHEMBL2091303

CC(=O)NCC(C)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.60
MTNR1B P49286 5/20 0.60
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
TAAR1 Q96RJ0 2/20 0.55
AOC3 Q16853 1/20 0.55
ACACB O00763 1/20 0.51
TP53 P04637 2/20 0.49
APAF1 O14727 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
BCL2 P10415 2/20 0.46
BCL2L1 Q07817 2/20 0.46
MCL1 Q07820 2/20 0.46
BCL2A1 Q16548 2/20 0.46
BAK1 Q16611 1/20 0.46

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
SCHEMBL8384245 1.00 MTNR1A (0.60) MTNR1AMTNR1BNPC1RAB9ATAAR1
SCHEMBL8384291 1.00 MTNR1A (0.60) MTNR1AMTNR1BNPC1RAB9ATAAR1
SCHEMBL28904956 0.95 MTNR1A (0.55) MTNR1AMTNR1BNPC1RAB9ATAAR1
SCHEMBL4530460 0.86 NPC1 (0.61) NPC1RAB9ATAAR1AOC3TP53
Hydrochloric Acid SCHEMBL4323386 0.85 TAAR1 (0.60) NPC1RAB9ATAAR1AOC3TP53
SCHEMBL2091812 0.84 MTNR1A (0.67) MTNR1AMTNR1BNPC1RAB9AAPAF1
SCHEMBL8499532 0.83 NPC1 (0.58) NPC1RAB9ATAAR1AOC3TP53
SCHEMBL2432247 0.83 BCAT2 (0.66) NPC1RAB9ATAAR1AOC3TP53
SCHEMBL7909475 0.83 NPC1 (0.58) NPC1RAB9ATAAR1AOC3TP53
SCHEMBL12862954 0.83 NPC1 (0.58) NPC1RAB9ATAAR1AOC3TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109942499-B Quinazoline derivative and preparation method and application thereof 湖南中医药大学 2022-03-22 CN disclosed
EP-3364940-B1 METHOD OF CHROMATOGRAPHIC SEPARATION PROCTER & GAMBLE (US) 2019-08-07 EP disclosed
CN-109942499-A Quinazoline derivant and its preparation method and application 湖南中医药大学 2019-06-28 CN disclosed
US-10035759-B2 Method of chromatographic separation THE PROCTER & GAMBLE COMPANY (US) 2018-07-31 US disclosed
US-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 US disclosed
US-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 US disclosed
EP-2418942-B1 NAPHTHALENE-BASED INHIBITORS OF ANTI-APOPTOTIC PROTEINS SANFORD-BURNHAM MEDICAL RES INST (US) 2017-08-23 EP disclosed
WO-2017070414-A1 METHOD OF CHROMATOGRAPHIC SEPARATION THE PROCTER & GAMBLE COMPANY (US) 2017-04-27 WO disclosed
EP-2616469-B1 9H-PURINE COMPOUNDS AS PI3K-DELTA INHIBITORS AND METHODS FOR THEIR MANUFACTURE EXELIXIS INC (US) 2016-10-26 EP disclosed
CN-105859783-A Novel chiral phosphine ligand, metal catalyst containing chiral phosphine ligand and preparation method and application thereof 宁波赜军医药科技有限公司 2016-08-17 CN disclosed
US-20090054494-A1 N-[1,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PHARMACEUTICAL COMPOSITIONS THEREOF AND METHODS FOR THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2009-02-26 US disclosed
EP-1937657-A1 N-[1 ,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2008-07-02 EP disclosed
US-20080070924-A1 Novel Formulations For Opioid-Based Treatments Of Pain Comprising 1-(1,2-Disubstituted Piperidinyl)-4-Substituted Piperazine Derivatives JANSSENS FRANS EDUARD 2008-03-20 US disclosed
US-20080070924-A1 Novel Formulations For Opioid-Based Treatments Of Pain Comprising 1-(1,2-Disubstituted Piperidinyl)-4-Substituted Piperazine Derivatives JANSSENS FRANS EDUARD 2008-03-20 US disclosed
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 WO disclosed
WO-2007039175-A1 N-[1 ,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 WO disclosed
EP-1440052-B1 BENZAMIDE DERIVATIVES AS ANTAGONISTS OF OREXIN RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2005-12-14 EP disclosed
CN-1182837-C Orally administrable immediate and prolonged-release Galenic form comprising absorption-promoting agent and use of this absorption-promoting agent Ĭ��ר���ɷ����޹�˾ 2005-01-05 CN disclosed
EP-0938494-A1 INHIBITORS OF PROTEIN FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 1999-09-01 EP disclosed
WO-1997044350-A1 INHIBITORS OF PROTEIN FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 1997-11-27 WO 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-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES TP53, NQO1, SHMT2 MTNR1A 427/4885MTNR1B 461/4885NPC1 715/4885
US-20090054494-A1 N-[1,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PHARMACEUTICAL COMPOSITIONS THEREOF AND METHODS FOR THEIR THERAPEUTIC USE PPARD, PPARG, PPARA MTNR1A 182/4885MTNR1B 165/4885NPC1 880/4885
US-20080070924-A1 Novel Formulations For Opioid-Based Treatments Of Pain Comprising 1-(1,2-Disubstituted Piperidinyl)-4-Substituted Piperazine Derivatives OPRL1, OPRK1, OPRM1 MTNR1A 91/4885MTNR1B 122/4885NPC1 1524/4885
US-10035759-B2 Method of chromatographic separation AVPR2, SHBG, AVPR1B MTNR1A 1094/4885MTNR1B 315/4885NPC1 1410/4885

“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.