SCHEMBL16682144

SCHEMBL16682144

NC(=O)S.c1ccc2c(c1)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.46
TSHR P16473 2/20 0.46
HSD17B3 P37058 1/20 0.44
NOTUM Q6P988 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CES1 P23141 1/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
ORAI1 Q96D31 1/20 0.41
ORAI2 Q96SN7 1/20 0.41
ORAI3 Q9BRQ5 1/20 0.41
TMPRSS2 O15393 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAOA P21397 1/20 0.41
SLC6A2 P23975 1/20 0.41
POLB P06746 1/20 0.40

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
Urea SCHEMBL5312853 0.79 TSHR (0.60) CYP2A6TSHRNOTUMHTTSMN1; SMN2
Methyl Carbamate SCHEMBL9587539 0.78 HSD17B3 (0.44) CYP2A6TSHRHSD17B3NOTUMHTT
Hydroxyamine SCHEMBL9527686 0.77 TSHR (0.56) CYP2A6TSHRCES1NOS3NOS1
Carbamic Acid SCHEMBL2175348 0.77 TSHR (0.57) CYP2A6TSHRNOTUMHTTSMN1; SMN2
Carbamic Acid SCHEMBL9011736 0.77 TSHR (0.65) CYP2A6TSHRNOTUMHTTSMN1; SMN2
SCHEMBL33555 0.76
SCHEMBL29351986 0.76
SCHEMBL4465325 0.76 TSHR (0.71) CYP2A6TSHRCES1NOS3NOS1
SCHEMBL34906 0.76
Acetamide SCHEMBL5312159 0.75 TSHR (0.55) CYP2A6TSHRHSD17B3NOTUMSMN1; 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9878985-B2 Benzocyclobutane(thio) carboxamides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-01-30 US claimed
EP-3062617-B1 BENZOCYCLOBUTANE(THIO) CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2017-12-06 EP claimed
US-20160264529-A1 BENZOCYCLOBUTANE(THIO) CARBOXAMIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-09-15 US claimed
EP-3062617-A1 BENZOCYCLOBUTANE(THIO) CARBOXAMIDES Bayer CropScience Aktiengesellschaft (DE) 2016-09-07 EP claimed
WO-2015063086-A1 BENZOCYCLOBUTANE(THIO) CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2015-05-07 WO claimed
US-9878985-B2 Benzocyclobutane(thio) carboxamides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-01-30 US disclosed
US-9878985-B2 Benzocyclobutane(thio) carboxamides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-01-30 US disclosed
US-9878985-B2 Benzocyclobutane(thio) carboxamides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-01-30 US disclosed
EP-3062617-B1 BENZOCYCLOBUTANE(THIO) CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2017-12-06 EP disclosed
US-20160264529-A1 BENZOCYCLOBUTANE(THIO) CARBOXAMIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-09-15 US disclosed
US-20160264529-A1 BENZOCYCLOBUTANE(THIO) CARBOXAMIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-09-15 US disclosed
EP-3062617-A1 BENZOCYCLOBUTANE(THIO) CARBOXAMIDES Bayer CropScience Aktiengesellschaft (DE) 2016-09-07 EP disclosed
EP-3062617-A1 BENZOCYCLOBUTANE(THIO) CARBOXAMIDES Bayer CropScience Aktiengesellschaft (DE) 2016-09-07 EP disclosed
WO-2015063086-A1 BENZOCYCLOBUTANE(THIO) CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2015-05-07 WO disclosed
WO-2015063086-A1 BENZOCYCLOBUTANE(THIO) CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2015-05-07 WO 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-20160264529-A1 BENZOCYCLOBUTANE(THIO) CARBOXAMIDES BOLA2; BOLA2B, TREH, BRD8 CYP2A6 1862/4885TSHR 1840/4885HSD17B3 4611/4885

“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.