SCHEMBL5855210

SCHEMBL5855210

COc1ccc(C2(C)CSc3cc(OC)ccc3C2CCCCCCCCCSCCCCC#N)cc1

nearest known ligand 0.31

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NMT2 O60551 1/20 0.30
NMT1 P30419 1/20 0.30
ADRB2 P07550 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2C P28335 1/20 0.30
HRH1 P35367 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
HTR2B P41595 1/20 0.30
HTR5A P47898 1/20 0.30
SLC6A3 Q01959 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL5854961 0.94 SIGMAR1 (0.33) ADRB2HTR1AADRA2AADRA2BSLC6A2
SCHEMBL7590334 0.89 GRM2 (0.34) ADRB2HTR1AADRA2AADRA2BSLC6A2
SCHEMBL5855679 0.86 CACNA1S (0.31) ADRB2HTR1AADRA2AADRA2BSLC6A2
SCHEMBL5856138 0.85 HSD17B1 (0.30)
SCHEMBL5855235 0.85
SCHEMBL5853638 0.85 PTGFR (0.35)
SCHEMBL5853898 0.83 HTR1A (0.34) ADRB2HTR1AADRA2AADRA2BSLC6A2
SCHEMBL5854323 0.81 SIGMAR1 (0.34) ADRB2HTR1AADRA2AADRA2BSLC6A2
SCHEMBL5855958 0.81 SIGMAR1 (0.34) ADRB2HTR1AADRA2AADRA2BSLC6A2
SCHEMBL5854345 0.81 SIGMAR1 (0.34) ADRB2HTR1AADRA2AADRA2BSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074819-B2 Benzopyran or thiobenzopyran derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-07-11 US disclosed
US-20040102479-A1 Novel benzopyran or thiobenzopyran derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA 2004-05-27 US disclosed
US-6645951-B1 Antiestrogens for treating breast cancer CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-11-11 US disclosed
EP-1087959-A1 NOVEL BENZOPYRAN OR THIOBENZOPYRAN DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-04-04 EP disclosed
WO-1999065893-A1 NOVEL BENZOPYRAN OR THIOBENZOPYRAN DERIVATIVES C & C RESEARCH LABORATORIES (KR) 1999-12-23 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-20040102479-A1 Novel benzopyran or thiobenzopyran derivatives NR5A1, SHBG, ESR2 NMT2 3076/4885NMT1 2597/4885ADRB2 176/4885

“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.