SCHEMBL20678656

SCHEMBL20678656

CO[C@@H]1c2ccccc2C[C@H]1NC(=O)C(c1ccc(F)cc1F)N1CC(F)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 4/20 0.41
OXTR P30559 10/20 0.37
CYP3A4 P08684 2/20 0.37
AVPR2 P30518 2/20 0.37
AVPR1A P37288 2/20 0.37
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PIN1 Q13526 1/20 0.33
MAPK14 Q16539 2/20 0.33
KDM4D Q6B0I6 1/20 0.33
PYGL P06737 1/20 0.33
NPY2R P49146 1/20 0.32

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
SCHEMBL20678653 1.00 GRM7 (0.41) GRM7OXTRCYP3A4AVPR2AVPR1A
SCHEMBL19200422 1.00 GRM7 (0.41) GRM7OXTRCYP3A4AVPR2AVPR1A
SCHEMBL20678727 0.87 GRM7 (0.50) GRM7OXTRAVPR2CYP2D6
SCHEMBL19200403 0.87 GRM7 (0.50) GRM7OXTRAVPR2CYP2D6
SCHEMBL19182809 0.87 GRM7 (0.50) GRM7OXTRAVPR2CYP2D6
SCHEMBL19200271 0.86 GRM7 (0.41) GRM7OXTRCYP3A4AVPR2AVPR1A
SCHEMBL19200400 0.86 GRM7 (0.41) GRM7OXTRCYP3A4AVPR2AVPR1A
SCHEMBL20678740 0.86 GRM7 (0.50) GRM7OXTRCYP3A4AVPR2AVPR1A
SCHEMBL19200937 0.86 GRM7 (0.50) GRM7OXTRCYP3A4AVPR2AVPR1A
SCHEMBL20678739 0.86 GRM7 (0.50) GRM7OXTRCYP3A4AVPR2AVPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190031599-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS TAKEDA CAMBRIDGE LIMITED (GB) 2019-01-31 US claimed
US-20190031599-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS TAKEDA CAMBRIDGE LIMITED (GB) 2019-01-31 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-20190031599-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS GRM7, GRIN2B, GRM1 GRM7 1/4885OXTR 248/4885CYP3A4 1405/4885

“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.