SCHEMBL755827

SCHEMBL755827

COc1ccc(CC(=O)N(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.59
ALOX5 P09917 2/20 0.56
SIGMAR1 Q99720 2/20 0.56
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
GAA P10253 1/20 0.55
CTBP2 P56545 1/20 0.53
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
USP2 O75604 1/20 0.50
TP53 P04637 1/20 0.50
LDHA P00338 1/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL1708481 0.85 HTT (0.56) HTTALOX5SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL19091716 0.83 ALDH1A1 (0.57) ALOX5ALDH1A1SMN1; SMN2KDM4E
SCHEMBL15386974 0.83 ALOX5 (0.47) HTTALOX5SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL4459739 0.82 HTT (0.53) HTTALOX5SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL4002523 0.81 ALDH1A1 (0.56) HTTALOX5SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL8566732 0.81 ALOX5 (0.66) HTTALOX5ALDH1A1SMN1; SMN2POLB
SCHEMBL15386986 0.81 LMNA (0.50) ALOX5ALDH1A1GAAPOLB
SCHEMBL10048247 0.80 SMN1; SMN2 (0.66) ALOX5SMN1; SMN2
SCHEMBL2405257 0.80 CCR5 (0.62) HTTALOX5SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL3628705 0.79 HTT (0.68) HTTALDH1A1SMN1; SMN2CTBP2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US claimed
CN-109535017-B Preparation method of venlafaxine hydrochloride 合肥立方制药股份有限公司 2023-08-08 CN disclosed
US-20200060995-A1 Substituted Phenethylamines With Serotoninergic And/Or Norepinephrinergic Activity ACADIA PHARMACEUTICALS INC. 2020-02-27 US disclosed
US-20200060995-A1 Substituted Phenethylamines With Serotoninergic And/Or Norepinephrinergic Activity ACADIA PHARMACEUTICALS INC. 2020-02-27 US disclosed
US-20180085327-A1 Substituted Phenethylamines With Serotoninergic And/Or Norepinephrinergic Activity ACADIA PHARMACEUTICALS INC. 2018-03-29 US disclosed
US-20180085327-A1 Substituted Phenethylamines With Serotoninergic And/Or Norepinephrinergic Activity ACADIA PHARMACEUTICALS INC. 2018-03-29 US disclosed
US-9784752-B2 Venlafaxine assay RANDOX LABORATORIES LIMITED (GB) 2017-10-10 US disclosed
US-20160361275-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY ACADIA PHARMACEUTICALS INC. 2016-12-15 US disclosed
US-20160361275-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY ACADIA PHARMACEUTICALS INC. 2016-12-15 US disclosed
US-20160318847-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY ACADIA PHARMACEUTICALS INC. 2016-11-03 US disclosed
US-7456317-B2 Deuterated venlafaxine derivatives; venlafaxine hydrochloride; pharmacokinetics; antiserotonine agents; drug abuse, drug dependence; monoamine neurotransmitters; for intravenous administration; tablet/capsule form AUSPEX PHARMACEUTICALS (US) 2008-11-25 US disclosed
US-7456317-B2 Deuterated venlafaxine derivatives; venlafaxine hydrochloride; pharmacokinetics; antiserotonine agents; drug abuse, drug dependence; monoamine neurotransmitters; for intravenous administration; tablet/capsule form AUSPEX PHARMACEUTICALS (US) 2008-11-25 US disclosed
US-20070149622-A1 Deuterated venlafaxine derivatives formed by decyclization with formic acid; venlafaxine hydrochloride; pharmacokinetics; antiserotonine agents; drug abuse, drug dependence; monoamine neurotransmitters AUSPEX PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149622-A1 Deuterated venlafaxine derivatives formed by decyclization with formic acid; venlafaxine hydrochloride; pharmacokinetics; antiserotonine agents; drug abuse, drug dependence; monoamine neurotransmitters AUSPEX PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
WO-2005049560-A2 PROCESS FOR THE PREPARATION OF ANTI-DEPRESSANT COMPOUND SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2005-06-02 WO disclosed
CN-1240206-A Process for preparing 1[2-(dimethyamino)-1-(4-methoxyphenyl)ethyl] cyclohexanol hydrochloridumi HUADONG SCIENCE & ENGINEERING (CN) 2000-01-05 CN disclosed
US-4761501-A INTERMEDIATES FOR ANTIDEPRESSANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1988-08-02 US disclosed
EP-0112669-B1 PHENETHYLAMINE DERIVATIVES AND INTERMEDIATES THEREFOR AMERICAN HOME PRODUCTS CORPORATION (US) 1987-07-29 EP disclosed
US-4611078-A ANTIDEPRESSANT INTERMEDIATES AMERICAN HOME PRODUCTS CORPORATION (US) 1986-09-09 US disclosed
US-4535186-A CENTRAL NERVOUS SYSTEM ANTIDEPRESSANTS; VENLAFAXINE AMERICAN HOME PRODUCTS CORPORATION (US) 1985-08-13 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 (5 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-20200060995-A1 Substituted Phenethylamines With Serotoninergic And/Or Norepinephrinergic Activity SLC6A4, HTR4, GPR34 HTT 1000/4885ALOX5 3581/4885SIGMAR1 186/4885
US-20160361275-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY SLC6A4, HTR4, GPR34 HTT 1000/4885ALOX5 3581/4885SIGMAR1 186/4885
US-20070149622-A1 Deuterated venlafaxine derivatives formed by decyclization with formic acid; venlafaxine hydrochloride; pharmacokinetics; antiserotonine agents; drug abuse, drug dependence; monoamine neurotransmitters SLC6A4, HTR4, OPRK1 HTT 820/4885ALOX5 1460/4885SIGMAR1 407/4885
US-20160318847-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY SLC6A4, HTR4, GPR34 HTT 1000/4885ALOX5 3581/4885SIGMAR1 186/4885
US-20180085327-A1 Substituted Phenethylamines With Serotoninergic And/Or Norepinephrinergic Activity SLC6A4, HTR4, GPR34 HTT 1000/4885ALOX5 3581/4885SIGMAR1 186/4885

“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.