SCHEMBL680368

SCHEMBL680368

CNCCc1ccc(C)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 8/20 0.64
TMEM97 Q5BJF2 1/20 0.64
SIGMAR1 Q99720 1/20 0.64
ATM Q13315 2/20 0.62
CYP1A2 P05177 2/20 0.52
CYP2A6 P11509 1/20 0.52
MAPT P10636 3/20 0.52
TP53 P04637 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
MAPK1 P28482 1/20 0.52
THPO P40225 1/20 0.52
HIF1A Q16665 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 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
Hydrochloric Acid SCHEMBL1026061 0.98 TAAR1 (0.61) TAAR1TMEM97SIGMAR1ATMCYP1A2
SCHEMBL14614553 0.93 TAAR1 (0.57) TAAR1TMEM97SIGMAR1ATMCYP1A2
SCHEMBL10156581 0.89 TAAR1 (0.76) TAAR1TMEM97SIGMAR1ATMCYP1A2
SCHEMBL7031436 0.86 MEN1 (0.63) TAAR1TMEM97SIGMAR1ATMCYP1A2
SCHEMBL30229979 0.84 L3MBTL1 (0.67) TAAR1TMEM97SIGMAR1ATMCYP1A2
SCHEMBL17919923 0.80 TAAR1 (0.64) TAAR1TMEM97SIGMAR1ATMCYP1A2
SCHEMBL3060595 0.80 TAAR1 (0.64) TAAR1TMEM97SIGMAR1ATMCYP1A2
SCHEMBL3063318 0.80 TAAR1 (0.64) TAAR1TMEM97SIGMAR1ATMCYP1A2
SCHEMBL12342297 0.80 CHRM2 (0.54) TAAR1SIGMAR1CYP1A2CYP2A6MAPT
SCHEMBL23572283 0.78 ALDH1A1 (0.50) TAAR1CYP1A2CYP2A6MAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12060362-B2 Inhibitors of glucose transporters (GLUTs) LEAD DISCOVERY CENTER GMBH (DE) 2024-08-13 US disclosed
WO-2024054766-A2 MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER MITO BIOPHARMA, LLC (US) 2024-03-14 WO disclosed
WO-2023196986-A1 PHOTOACTIVE ANTIBODY CONJUGATE Syncell (Taiwan) Inc. (TW) 2023-10-12 WO disclosed
WO-2023101556-A1 NOVEL INHIBITORS OF ASPARTATE TRANSCARBAMOYLASE (ATCASE) AND COMPOSITIONS, METHODS AND USES RELATED THERETO. RIJKSUNIVERSITEIT GRONINGEN (NL) 2023-06-08 WO disclosed
US-11597699-B2 MEK inhibitors and methods of their use EXELIXIS, INC. (US) 2023-03-07 US disclosed
EP-3960767-A2 SPECIFIC SITES FOR MODIFYING ANTIBODIES TO MAKE IMMUNOCONJUGATES Novartis AG (CH) 2022-03-02 EP disclosed
US-20210198269-A1 INHIBITORS OF GLUCOSE TRANSPORTERS (GLUTs) MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2021-07-01 US disclosed
EP-3189840-B1 METHYLPHENIDATE-PRODRUGS, PROCESSES OF MAKING AND USING THE SAME KEMPHARM INC (US) 2021-05-19 EP disclosed
EP-3154997-B9 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2021-04-14 EP disclosed
EP-2953976-B1 SPECIFIC SITES FOR MODIFYING ANTIBODIES TO MAKE IMMUNOCONJUGATES NOVARTIS AG (CH) 2021-03-24 EP disclosed
US-6677324-B1 MIXTURE INCLUDES 7A-(E-AMINOALKYL)-ESTRATRIENE; HORMONE REPLACEMENT THERAPY; MENOPAUSE SCHERING AKTIENGESELLSCHAFT (DE) 2004-01-13 US disclosed
CN-1131235-C 11 beta-halogen-7 alpha-substituted estratrienes, method for producing pharmaceutical preparations containing said 11 beta-halogen-7 alpha-substituted estratrienes, and use of said substances for producing medicaments SCHERING AG (DE) 2003-12-17 CN disclosed
EP-1042355-B1 11BETA-HALOGEN-7ALPHA-SUBSTITUTED ESTRATRIENES, METHOD FOR PRODUCING PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11BETA-HALOGEN-7ALPHA-SUBSTITUTED ESTRATRIENES AND USE OF THE SAME FOR PRODUCING MEDICAMENTS SCHERING AG (DE) 2003-02-12 EP disclosed
CN-1286693-A 11 'beta'-halogen-7 'alpha'-substd estratrienes, method for producing pharmaceutical preparations contg. said 11 'beta'-halogen-7 'alpha'-substd estratrienes and use of same for producing medicaments SCHERING AG (DE) 2001-03-07 CN disclosed
EP-1054676-A1 COMBINATION PREPARATION OF ESTROGEN AND ANTI-ESTROGEN SCHERING AKTIENGESELLSCHAFT (DE) 2000-11-29 EP disclosed
EP-1042355-A1 11BETA-HALOGEN-7ALPHA-SUBSTITUTED ESTRATRIENES, METHOD FOR PRODUCING PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11BETA-HALOGEN-7ALPHA-SUBSTITUTED ESTRATRIENES AND USE OF THE SAME FOR PRODUCING MEDICAMENTS Schering Aktiengesellschaft (DE) 2000-10-11 EP disclosed
WO-1999042109-A1 COMBINATION PREPARATION OF ESTROGEN AND ANTI-ESTROGEN SCHERING AKTIENGESELLSCHAFT (DE) 1999-08-26 WO disclosed
WO-1999033855-A1 11β-HALOGEN-7α-SUBSTITUTED ESTRATRIENES, METHOD FOR PRODUCING PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11β-HALOGEN-7α-SUBSTITUTED ESTRATRIENES AND USE OF THE SAME FOR PRODUCING MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1999-07-08 WO disclosed
US-5006527-A Antihistamines, antiallergens JANSSEN PHARMACEUTICA N.V. (BE) 1991-04-09 US disclosed
US-3976634-A ANTIINFLAMMATORY SANDOZ, INC. (US) 1976-08-24 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 (3 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-12060362-B2 Inhibitors of glucose transporters (GLUTs) SLC2A1, SLC2A3, SLC2A4 TAAR1 2425/4885TMEM97 1436/4885SIGMAR1 3017/4885
US-20210198269-A1 INHIBITORS OF GLUCOSE TRANSPORTERS (GLUTs) SLC2A1, SLC2A3, SLC2A4 TAAR1 2799/4885TMEM97 1274/4885SIGMAR1 2844/4885
US-11597699-B2 MEK inhibitors and methods of their use BRAF, NRAS, MAP3K20 TAAR1 3901/4885TMEM97 3347/4885SIGMAR1 3028/4885

“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.