SCHEMBL555598

SCHEMBL555598

Cc1ccccc1-c1nnc([C@H]2CN(C(=O)OC(C)(C)C)[C@@H](C)C[C@@H]2c2ccc(F)c(F)c2)n1C1CC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.35
SMARCA2 P51531 1/20 0.33
SMARCA4 P51532 1/20 0.33
PBRM1 Q86U86 1/20 0.33
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
HDAC1 Q13547 1/20 0.32
HRH3 Q9Y5N1 2/20 0.31
PDE5A O76074 1/20 0.31
SCN9A Q15858 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
RORC P51449 1/20 0.31
TACR1 P25103 2/20 0.31

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
SCHEMBL556510 0.89 NTRK1 (0.35) NTRK1
SCHEMBL556089 0.87 REN (0.41) NTRK1ABL1BCRCYP3A4
SCHEMBL555599 0.76 SLC6A2 (0.32) NTRK1PDE5A
SCHEMBL535120 0.75 TACR3 (0.40) SCN9APOLB
SCHEMBL556462 0.73 PDE4B (0.43) NTRK1NR1H2NR1H3CYP1A2POLB
SCHEMBL556872 0.71 NR1H2 (0.37) NTRK1ABL1BCRNR1H2NR1H3
SCHEMBL557595 0.71 PDE4B (0.43) NTRK1NR1H2NR1H3CYP1A2POLB
SCHEMBL556599 0.69 CYP1A2 (0.35) NTRK1ABL1BCRNR1H2NR1H3
SCHEMBL23013151 0.66 TACR1 (0.43) NTRK1NR1H2NR1H3RORCTACR1
SCHEMBL29481460 0.66 TACR1 (0.43) NTRK1NR1H2NR1H3RORCTACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 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 (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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 NTRK1 4075/4885SMARCA2 2292/4885SMARCA4 2103/4885

“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.