SCHEMBL12378904

SCHEMBL12378904

C=C(CC)c1ccc(S)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK2 Q13002 1/20 0.35
MEN1 O00255 1/20 0.34
NR1I2 O75469 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
ESR1 P03372 1/20 0.34
NR3C1 P04150 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
FYN P06241 1/20 0.34
PGR P06401 1/20 0.34
CHRM2 P08172 1/20 0.34
ADRB1 P08588 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
AR P10275 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL2263489 0.87 NR1I2 (0.42) GRIK2MEN1NR1I2USP2ALDH1A1
SCHEMBL5749794 0.78 ESR1 (0.58) MEN1NR1I2USP2ALDH1A1LMNA
SCHEMBL5704306 0.78 ALDH1A1 (0.44) MEN1ALDH1A1LMNAACHEKMT2A
SCHEMBL8410387 0.78 SLC6A4 (0.36) GRIK2MEN1NR1I2USP2ALDH1A1
SCHEMBL24162342 0.76
SCHEMBL5178198 0.76 MAOA (0.47) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL11698205 0.76 CYP19A1 (0.54) MEN1ALDH1A1LMNAESR1CYP1A2
SCHEMBL2015853 0.76 MAOA (0.55) MEN1ALDH1A1LMNACYP3A4MAPT
SCHEMBL10413993 0.76 MAOA (0.55) LMNASMN1; SMN2MAOAMAOB
SCHEMBL9348304 0.76 ALDH1A1 (0.52) ALDH1A1TP53SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3222647-A1 POLYESTER, METHOD FOR THEIR PREPARATION AND THEIR USE WeylChem Wiesbaden GmbH (DE) 2017-09-27 EP disclosed
US-7994163-B2 e.g. 3-tert-Butoxycarbonyl-7-chloro-6-chloromethyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine; serotonin receptor agonist; antidepressant, anxiolytic agent; obesity, obsessive compulsive disorder ELI LILLY AND COMPANY (US) 2011-08-09 US disclosed
US-20080255092-A1 6-Substituted-2,3,4,5-Tetrahydro-1H-Benzo[d]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-10-16 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 (1 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-20080255092-A1 6-Substituted-2,3,4,5-Tetrahydro-1H-Benzo[d]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR3C, HTR3A GRIK2 303/4885MEN1 2734/4885NR1I2 114/4885

“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.