SCHEMBL990444

SCHEMBL990444

CCC1CCCCN1C(=O)c1cnc(Nc2ccc(C(F)(F)F)nc2)c(Cl)c1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 15/20 0.78
HSD11B1 P28845 1/20 0.48
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
RHOC P08134 1/20 0.46
RHOA P61586 1/20 0.46
KCNK3 O14649 1/20 0.43

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
SCHEMBL990442 1.00 GRM5 (0.78) GRM5HSD11B1ALDH1A1LMNARHOC
SCHEMBL991624 0.88 GRM5 (1.00) GRM5HSD11B1
SCHEMBL990299 0.88 GRM5 (1.00) GRM5HSD11B1
SCHEMBL990300 0.88 GRM5 (1.00) GRM5HSD11B1
SCHEMBL991618 0.86 GRM5 (1.00) GRM5HSD11B1LMNARHOCRHOA
SCHEMBL991619 0.86 GRM5 (1.00) GRM5HSD11B1LMNARHOCRHOA
SCHEMBL990097 0.85 GRM5 (0.79) GRM5HSD11B1
SCHEMBL990095 0.85 GRM5 (0.79) GRM5HSD11B1
SCHEMBL990799 0.81 GRM5 (1.00) GRM5HSD11B1
SCHEMBL992091 0.81 GRM5 (1.00) GRM5HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140187600-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GLATTHAR RALF (DE) 2014-07-03 US disclosed
US-20120309742-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GLATTHAR RALF (DE) 2012-12-06 US disclosed
EP-2272509-A1 New Uses of metabotropic glutamate receptors Novartis AG (CH) 2011-01-12 EP disclosed
US-20100041641-A1 USES OF METABOTROPIC GLUTAMATE RECEPTORS RALF GLATTHAR 2010-02-18 US disclosed
CN-101535265-A Nicotinic acid derivatives as metabotropic glutamate receptor modulators NOVARTIS AG (CH) 2009-09-16 CN disclosed
US-20090005363-A1 Organic Compounds NOVARTIS AG (CH) 2009-01-01 US disclosed
CN-101321731-A Nicotinic acid derivatives as metabotropic glutamate receptor modulators NOVARTIS AG (CH) 2008-12-10 CN 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 (4 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-20100041641-A1 USES OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 GRM5 1/4885HSD11B1 2134/4885ALDH1A1 4204/4885
US-20120309742-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 GRM5 1/4885HSD11B1 2018/4885ALDH1A1 4203/4885
US-20090005363-A1 Organic Compounds NNT, NAPRT, CHRNA5 GRM5 680/4885HSD11B1 1208/4885ALDH1A1 117/4885
US-20140187600-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 GRM5 1/4885HSD11B1 2018/4885ALDH1A1 4203/4885

“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.