SCHEMBL4947406

SCHEMBL4947406

CCC(C(C)=NN)c1cc(OC)c(OC)cc1C(=O)c1ccc(OC)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPK1 P28482 1/20 0.46
GAA P10253 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
ACHE P22303 5/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BCHE P06276 3/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA7 P43166 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
SCHEMBL5537479 1.00 TSHR (0.48) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14417018 1.00 TSHR (0.48) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4282581 0.87 TSHR (0.54) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8402568 0.86 PDE4A (0.46) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
Ethylene SCHEMBL6410194 0.84 TSHR (0.51) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14448350 0.82 MAPK1 (0.53) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6410186 0.81 TSHR (0.47) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3247280 0.80 CYP3A4 (0.49) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8090166 0.79 TSHR (0.48) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8323174 0.79 SMPD1 (0.48) TSHRCYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968953-A2 METHOD FOR ISOLATING (R)-TOFISOPAM Vela Acquisition Corporation (US) 2008-09-17 EP disclosed
US-7265106-B2 Method for isolating (R)-tofisopam VELA AQUISITION CORPORATION (US) 2007-09-04 US disclosed
WO-2007078808-A2 METHOD FOR ISOLATING (R)-TOFISOPAM VELA ACQUISITION CORPORATION (US) 2007-07-12 WO disclosed
US-20060128955-A1 Method of isolating (R)-tofisopam VELA PHARMACEUTICALS, INC. (US) 2006-06-15 US disclosed
US-20040254174-A1 Method for isolating (R)-tofisopam VELA PHARMACEUTICALS, INC. (US) 2004-12-16 US disclosed
US-RE30014-E 1-(3,4-Dimethoxy-phenyl)-4-methyl-5-ethyl-7,8-dimethoxy-5H-2,3-benzodiazepine Egyesult Gyogyazer-es Tapozergyar (HU) 1979-05-29 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 (2 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-20040254174-A1 Method for isolating (R)-tofisopam AMY1A, SI, IRS1 TSHR 2638/4885CYP1A2 2813/4885CYP3A4 2513/4885
US-20060128955-A1 Method of isolating (R)-tofisopam NPEPPS, NPPA, THOP1 TSHR 838/4885CYP1A2 1048/4885CYP3A4 441/4885

“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.