SCHEMBL14985498

SCHEMBL14985498

Cc1cc(-c2cc(C3CC3)[nH]n2)ccc1F

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 4/20 0.56
MKNK2 Q9HBH9 4/20 0.56
DRD4 P21917 8/20 0.52
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
DRD2 P14416 7/20 0.46
DRD3 P35462 6/20 0.46
POLB P06746 1/20 0.46
HCAR3 P49019 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
USP30 Q70CQ3 1/20 0.41
IGF1R P08069 1/20 0.41

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
SCHEMBL14985535 0.93 MKNK1 (0.52) MKNK1MKNK2DRD4MEN1KMT2A
SCHEMBL19806143 0.80 MKNK1 (0.82) MKNK1MKNK2DRD4MEN1KMT2A
SCHEMBL3346937 0.79 MKNK1 (0.51) MKNK1MKNK2DRD4MEN1KMT2A
SCHEMBL8415608 0.78 NPC1 (0.56) MEN1KMT2AIGF1R
SCHEMBL19805568 0.76 DRD4 (0.76) MKNK1MKNK2DRD4MEN1KMT2A
SCHEMBL3346932 0.75 USP30 (0.47) MKNK1MKNK2DRD4MEN1KMT2A
SCHEMBL25431152 0.73 MKNK1 (0.59) MKNK1MKNK2DRD4MEN1KMT2A
SCHEMBL14985532 0.73 MAPT (0.46) POLBHCAR2IGF1R
SCHEMBL14985509 0.73 MKNK1 (0.76) MKNK1MKNK2DRD4MEN1KMT2A
SCHEMBL14985523 0.73 COMT (0.44) IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190292179-A1 TGF Beta RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2019-09-26 US disclosed
WO-2018017633-A1 TGF Beta RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-25 WO disclosed
EP-2788086-B1 SUBSTITUTED PYRAZOLES AS MGLU5 RECEPTOR MODULATORS BOEHRINGER INGELHEIM INT (DE) 2016-10-12 EP disclosed
EP-2785696-B1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2015-09-23 EP disclosed
US-8822464-B2 N-aryl-piperazine derivatives and their use as positive allosteric modulators of mGluR5 receptors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-02 US disclosed
WO-2013083591-A1 SUBSTITUTED PYRAZOLES AS MGLU5 RECEPTOR MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 WO disclosed
WO-2013079460-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-06 WO disclosed
US-20130143870-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-06 US disclosed
US-20130137688-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-30 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 (3 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-20190292179-A1 TGF Beta RECEPTOR ANTAGONISTS TGFBR1, TGFBR2, TGFB1 MKNK1 1265/4885MKNK2 1286/4885DRD4 4295/4885
US-20130137688-A1 NOVEL COMPOUNDS GRM5, GRIN1, GRM1 MKNK1 1316/4885MKNK2 1130/4885DRD4 250/4885
US-20130143870-A1 NOVEL COMPOUNDS GRM5, GRM1, GRIK5 MKNK1 1349/4885MKNK2 1123/4885DRD4 320/4885

“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.