SCHEMBL2495978

SCHEMBL2495978

CCC(CC)c1ccccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
CYP3A4 P08684 3/20 0.41
ALOX15 P16050 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 4/20 0.40
TDP1 Q9NUW8 2/20 0.39
ADRA2B P18089 1/20 0.39
PTGS1 P23219 1/20 0.39
NOS3 P29474 2/20 0.37
NOS1 P29475 2/20 0.37
NOS2 P35228 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PIK3CA P42336 1/20 0.35
HSD17B10 Q99714 1/20 0.34
TAAR1 Q96RJ0 2/20 0.33

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
Ammonia Solution, Strong SCHEMBL25333625 0.98 ALDH1A1 (0.43) ALDH1A1CYP3A4ALOX15CASP1CASP7
Hydrochloric Acid SCHEMBL27918612 0.98 ALDH1A1 (0.43) ALDH1A1CYP3A4ALOX15CASP1CASP7
Hydrochloric Acid SCHEMBL28380568 0.96 ALDH1A1 (0.42) ALDH1A1CYP3A4ALOX15CASP1CASP7
SCHEMBL10889645 0.87 ALDH1A1 (0.39) ALDH1A1CYP3A4ALOX15CASP1CASP7
SCHEMBL27861224 0.87 ALDH1A1 (0.39) ALDH1A1CYP3A4ALOX15CASP1CASP7
SCHEMBL6120596 0.86 NOS3 (0.39) ALDH1A1CYP3A4ALOX15CASP1CASP7
SCHEMBL20711189 0.84 CYP1A2 (0.42) ALDH1A1CYP3A4ALOX15CASP1CASP7
SCHEMBL28122680 0.82 ALDH1A1 (0.42) ALDH1A1CYP3A4ALOX15CASP1CASP7
SCHEMBL1899229 0.82 CD44 (0.43) ALDH1A1CYP3A4ALOX15CASP1CASP7
SCHEMBL9734906 0.82 TSHR (0.48) TSHRNOS3NOS1NOS2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ALTAVANT SCIENCES GMBH 2023-09-19 US disclosed
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2021-07-08 US disclosed
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2021-03-16 US disclosed
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ROIVANT SCIENCES GMBH (CH) 2020-07-30 US disclosed
US-10660893-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES, GmbH (CH) 2020-05-26 US disclosed
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2019-09-19 US disclosed
CN-106459263-B Triphenyl methane system coloured composition 富士胶片和光纯药株式会社 2019-04-23 CN disclosed
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2018-04-05 US disclosed
US-20160135464-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-05-19 US disclosed
EP-1848678-B1 PROCESS FOR THE PREPARATION OF INTERMEDIATES SYNGENTA PARTICIPATIONS AG (CH) 2015-07-22 EP disclosed
US-20050101590-A1 Cannabinoid receptor agonists SHIONOGI & CO., LTD. (JP) 2005-05-12 US disclosed
EP-1477186-A1 ANTIPRURITICS SHIONOGI & CO., LTD. (JP) 2004-11-17 EP disclosed
US-6818640-B1 BIND SELECTIVELY TO CANNABINOID 2 RECEPTOR; ANTIINFLAMMATORY AGENTS SHIONOGI & CO., LTD. (JP) 2004-11-16 US disclosed
US-6762273-B2 DURABILITY; AERODYNAMIC SURFACE GEOMETRY; REACTION PRODUCT OF POLYTETRAMETHYLENE ETHER GLYCOL TERMINATED TOLUENE DIISO-CYANATE, N,N'-DIALKYLAMINO-DIPHENYL-METHANE AND 4,4''-METHYLENEBIS-(2,6-DIETHYL)-ANILINE CALLAWAY GOLF COMPANY 2004-07-13 US disclosed
US-20040116326-A1 Medicinal composition containing 1,3-thiazine derivative SHIONOGI & CO., LTD. (JP) 2004-06-17 US disclosed
US-20040116622-A1 [A THERMOSETTING POLYURETHANE MATERIAL FOR A GOLF BALL COVER] CALLAWAY GOLF COMPANY (US) 2004-06-17 US disclosed
EP-1375489-A1 MEDICINAL COMPOSITION CONTAINING 1,3-THIAZINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2004-01-02 EP disclosed
US-20030228937-A1 Thermosetting polyurethane material for a golf ball cover CALLAWAY GOLF COMPANY 2003-12-11 US disclosed
EP-1219612-A1 2-IMINO-1,3-THIAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2002-07-03 EP disclosed
US-3968188-A Process for preparing the pentaerythritol ester of phosphorohalidous acid MONSANTO COMPANY (US) 1976-07-06 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 (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-10660893-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A ALDH1A1 433/4885CYP3A4 234/4885ALOX15 565/4885
US-20050101590-A1 Cannabinoid receptor agonists CNR1, CNR2, OPRL1 ALDH1A1 4118/4885CYP3A4 2933/4885ALOX15 304/4885
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A ALDH1A1 433/4885CYP3A4 234/4885ALOX15 565/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A ALDH1A1 433/4885CYP3A4 234/4885ALOX15 565/4885
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A ALDH1A1 433/4885CYP3A4 234/4885ALOX15 565/4885
US-20160135464-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO CYP19A1, CYP1A1, AR ALDH1A1 588/4885CYP3A4 228/4885ALOX15 416/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A ALDH1A1 433/4885CYP3A4 234/4885ALOX15 565/4885
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A ALDH1A1 433/4885CYP3A4 234/4885ALOX15 565/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A ALDH1A1 433/4885CYP3A4 234/4885ALOX15 565/4885

“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.