SCHEMBL19985086

SCHEMBL19985086

CC1CCc2ncc(Br)cc21

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
AKR1B1 P15121 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
HSD17B10 Q99714 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL10238797 0.81 DRD2 (0.40) CA1CA2
SCHEMBL2077243 0.80 HTR2A (0.56) CA1CA2HTR2AHTR2CHTR2B
SCHEMBL30001510 0.79 CYP11B1 (0.34) HTTKMT2A
SCHEMBL24327696 0.79 HTT (0.35) HTTKMT2A
SCHEMBL17942174 0.79 CYP11B1 (0.34) HTTKMT2A
SCHEMBL31362556 0.75 MAOA (0.40) HTR2AHTR2CHTR2BHSD17B10SMN1; SMN2
SCHEMBL24336051 0.75 CA1 (0.39) CA1CA2HTR2AHTR2CHTR2B
SCHEMBL31362442 0.74 MAOA (0.41) CHRNB2CHRNA4HSD17B10
SCHEMBL15309331 0.73 UGT2B17 (0.38)
SCHEMBL15309244 0.73 CYP11B1 (0.35) CHRNB2CHRNA4

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-20180079743-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-03-22 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-20180079743-A1 FACTOR XIa INHIBITORS F11, F2, TFPI CA1 2317/4885CA2 1986/4885HTR2A 4336/4885

“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.