SCHEMBL734085

SCHEMBL734085

CC1(C)CCCC(C)(C)N1C(N)=O.[LiH]

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CHEK1 O14757 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL2278363 0.98 TSHR (0.42) TSHRNFKB1CYP2C19ALDH1A1SMN1; SMN2
Lithium SCHEMBL29816832 0.95 TSHR (0.41) TSHRNFKB1CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL28088669 0.77 TSHR (0.45) TSHRNFKB1CYP2C19ALDH1A1
SCHEMBL10574423 0.75 TSHR (0.43) TSHRNFKB1CYP2C19SMN1; SMN2
SCHEMBL28448964 0.75 TSHR (0.43) TSHRNFKB1CYP2C19
SCHEMBL9067554 0.75 TSHR (0.48) TSHRNFKB1CYP2C19
SCHEMBL8613670 0.75 TSHR (0.43) TSHRNFKB1CYP2C19SMN1; SMN2
SCHEMBL771854 0.73 TSHR (0.42) TSHRNFKB1CYP2C19
SCHEMBL8527302 0.73 TSHR (0.42) TSHRNFKB1CYP2C19
Hydrochloric Acid SCHEMBL11196712 0.73 TSHR (0.47) TSHRNFKB1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114945627-A Cation-exchange and anion-exchange polymers and (blended) membranes prepared from polymers containing highly fluorinated aromatic groups by nucleophilic substitution 斯图加特大学 2022-08-26 CN disclosed
EP-1434763-B1 BETA-LACTAMYL VASOPRESSIN V1A ANTAGONISTS AZEVAN PHARMACEUTICALS INC (US) 2018-01-17 EP disclosed
US-9422225-B2 Substituted phenethylamines with serotoninergic and/or norepinephrinergic activity AUSPEX PHARMACEUTICALS, INC. (US) 2016-08-23 US disclosed
US-8426400-B2 β-lactamyl phenylalanine, cysteine, and serine vasopressin antagonists AZEVAN PHARMACEUTICALS, INC. (US) 2013-04-23 US disclosed
US-20120220765-A1 BETA-LACTAMYL PHENYLALANINE, CYSTEINE, AND SERINE VASOPRESSIN ANTAGONISTS KOPPEL GARY A (US) 2012-08-30 US disclosed
US-8138226-B2 Substituted phenethylamines with serotoninergic and/or norepinephrinergic activity AUSPEX PHARMACEUTICALS (US) 2012-03-20 US disclosed
US-8048874-B2 Beta-lactamyl phenylalanine, cysteine, and serine vasopressin antagonists AZEVAN PHARMACEUTICALS, INC. (US) 2011-11-01 US disclosed
US-20110070192-A1 Method of preparation of novel nucleoside analogs and uses AUSPEX PHARMACEUTICALS, INC. 2011-03-24 US disclosed
US-20100137244-A1 PREPARATION AND UTILITY OF HMG-COA REDUCTASE INHIBITORS AUSPEX PHARMACEUTICALS, INC. (US) 2010-06-03 US disclosed
US-7691904-B2 pH sensitive prodrugs of 2,6-diisopropylphenol AUSPEX PHARMACEUTICALS, INC (US) 2010-04-06 US disclosed
US-20030162962-A1 Streptogramin derivatives, their preparation and compositions containing them AVENTIS PHARMA S.A. (FR) 2003-08-28 US disclosed
US-6610680-B1 Administering as adjuncts in heart failure or as antithrombotic agents, treatment of obsessive-compulsive disorder, aggressive disorders, depression and anxiety ELI LILLY AND COMPANY 2003-08-26 US disclosed
WO-2003031407-A2 β-LACTAMYL VASOPRESSIN VlaANTAGONISTS SERENIX PHARMACEUTICALS, LLC (US) 2003-04-17 WO disclosed
US-6521611-B2 2-(azetidin-2-on-1-yl) acetic acid derivatives; treatment of obsessive-compulsive disorder ELI LILLY AND COMPANY 2003-02-18 US disclosed
EP-0939632-A4 NON-PEPTIDYL VASOPRESSIN V1a ANTAGONISTS LILLY CO ELI (US) 2002-09-25 EP disclosed
US-20020049187-A1 Non-peptidyl vasopressin V1a antagonists BRUNS ROBERT F (US) 2002-04-25 US disclosed
US-6204260-B1 2-(AZETIDIN-2-ON-1-YL)ACETIC ACID DERIVATIVES ELI LILLY AND COMPANY 2001-03-20 US disclosed
EP-0939632-A1 NON-PEPTIDYL VASOPRESSIN V1a ANTAGONISTS ELI LILLY AND COMPANY (US) 1999-09-08 EP disclosed
WO-1997030707-A1 NON-PEPTIDYL VASOPRESSIN V1a ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-08-28 WO disclosed
US-3988325-A 7-Carboxy or 2,2,2-trichloroethoxy carbonyl- cephalosporins ELI LILLY AND COMPANY (US) 1976-10-26 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-20110070192-A1 Method of preparation of novel nucleoside analogs and uses RNGTT, TYMP, SLC29A1 TSHR 2840/4885NFKB1 1945/4885CYP2C19 1515/4885
US-20100137244-A1 PREPARATION AND UTILITY OF HMG-COA REDUCTASE INHIBITORS HMGCR, COASY, ECHS1 TSHR 4130/4885NFKB1 3564/4885CYP2C19 361/4885
US-20120220765-A1 BETA-LACTAMYL PHENYLALANINE, CYSTEINE, AND SERINE VASOPRESSIN ANTAGONISTS AVPR2, AVPR1A, AVPR1B TSHR 406/4885NFKB1 2572/4885CYP2C19 2400/4885
US-20020049187-A1 Non-peptidyl vasopressin V1a antagonists AVPR1A, AVPR2, AVPR1B TSHR 153/4885NFKB1 2284/4885CYP2C19 2260/4885
US-20030162962-A1 Streptogramin derivatives, their preparation and compositions containing them MRPL21, SPG11, NGLY1 TSHR 3687/4885NFKB1 656/4885CYP2C19 399/4885

“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.