SCHEMBL17809488

SCHEMBL17809488

CN1CCn2c(nc3ccc(F)cc32)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 8/20 0.46
MMP14 P50281 1/20 0.44
ADAMTS5 Q9UNA0 1/20 0.44
PKM P14618 1/20 0.43
MAT2A P31153 6/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PARP1 P09874 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38

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
SCHEMBL17809483 0.88 GRM2 (0.49) GRM2MMP14ADAMTS5PKMHTR3E
SCHEMBL31228892 0.82 GRM2 (0.46) GRM2MAT2ACYP3A4CYP2C9CYP2C19
SCHEMBL31241270 0.78 MAT2A (0.37) GRM2MAT2ACYP3A4CYP2C9CYP2C19
SCHEMBL17809495 0.78 GRM2 (0.58) GRM2PKM
SCHEMBL25643935 0.77 AAK1 (0.43) MAT2A
SCHEMBL839843 0.73 ALDH1A1 (0.41) GRM2
SCHEMBL17809479 0.73 GRM2 (0.49) GRM2MMP14ADAMTS5MAT2AHTR3A
SCHEMBL6923306 0.71 RAB9A (0.43) GRM2CYP3A4CYP2C19HRH4
SCHEMBL18329426 0.71 RPS6KA3 (0.38) GRM2MMP14ADAMTS5PKMCYP11B1
SCHEMBL18034947 0.71 GRM2 (0.53) GRM2MMP14ADAMTS5MAT2AHTR3A

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-10744155-B2 Inhibitors of ADAMTS4 or ADAMTS5 for use in preventing or treating cardiac remodeling and chronic heart failure UNIVERSITETET I OSLO (NO) 2020-08-18 US disclosed
US-20190282606-A1 INHIBITORS OF ADAMTS4 OR ADAMTS5 FOR USE IN PREVENTING OR TREATING CARDIAC REMODELING AND CHRONIC HEART FAILURE UNIVERSITETET I OSLO (NO) 2019-09-19 US disclosed
US-10322143-B2 Inhibitors of ADAMTS4 or ADAMTS5 for use in preventing or treating cardiac remodeling and chronic heart failure UNIVERSITETET I OSLO (NO) 2019-06-18 US disclosed
US-20160158271-A1 INHIBITORS OF ADAMTS4 OR ADAMTS5 FOR USE IN PREVENTING OR TREATING CARDIAC REMODELING AND CHRONIC HEART FAILURE UNIVERSITETET I OSLO (NO) 2016-06-09 US disclosed
US-20160158271-A1 INHIBITORS OF ADAMTS4 OR ADAMTS5 FOR USE IN PREVENTING OR TREATING CARDIAC REMODELING AND CHRONIC HEART FAILURE UNIVERSITETET I OSLO (NO) 2016-06-09 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 (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-10322143-B2 Inhibitors of ADAMTS4 or ADAMTS5 for use in preventing or treating cardiac remodeling and chronic heart failure ADAMTS5, ADAMTS4, ADAMTS1 GRM2 3161/4885MMP14 17/4885ADAMTS5 1/4885
US-20190282606-A1 INHIBITORS OF ADAMTS4 OR ADAMTS5 FOR USE IN PREVENTING OR TREATING CARDIAC REMODELING AND CHRONIC HEART FAILURE ADAMTS5, ADAMTS4, ADAMTS1 GRM2 3161/4885MMP14 17/4885ADAMTS5 1/4885
US-20160158271-A1 INHIBITORS OF ADAMTS4 OR ADAMTS5 FOR USE IN PREVENTING OR TREATING CARDIAC REMODELING AND CHRONIC HEART FAILURE ADAMTS5, ADAMTS4, ADAMTS1 GRM2 3161/4885MMP14 17/4885ADAMTS5 1/4885
US-10744155-B2 Inhibitors of ADAMTS4 or ADAMTS5 for use in preventing or treating cardiac remodeling and chronic heart failure ADAMTS5, ADAMTS4, ADAMTS1 GRM2 3161/4885MMP14 17/4885ADAMTS5 1/4885

“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.