SCHEMBL9980163

SCHEMBL9980163

BN1CCC[C@H]1CNC(=O)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSK P43235 1/20 0.50
CHRNB2 P17787 1/20 0.48
CHRNA7 P36544 1/20 0.48
CHRNA4 P43681 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HSD17B10 Q99714 1/20 0.46
DRD2 P14416 1/20 0.46
CHIT1 Q13231 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 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
SCHEMBL2706908 0.76 FPR3 (0.60) CTSLCTSBCTSKCHRNB2CHRNA7
SCHEMBL204560 0.76 FPR3 (0.60) CTSLCTSBCTSKCHRNB2CHRNA7
SCHEMBL5630219 0.75 HDAC3 (0.62) TAAR1HDAC3HDAC1HDAC2CHIT1
SCHEMBL203889 0.71 PREP (0.46) CHRNB2CHRNA7CHRNA4DRD2ALDH1A1
SCHEMBL13746889 0.71 HSD17B10 (0.52) CTSLCTSBCTSKCHRNB2CHRNA7
SCHEMBL8049469 0.70 CTSL (0.67) CTSLCTSBCTSKCHRNB2CHRNA7
SCHEMBL5566878 0.69 CTSL (0.66) CTSLCTSBCTSKHPGD
SCHEMBL3036514 0.69 SCN9A (0.54) TAAR1HDAC3HDAC1HDAC2
SCHEMBL21637875 0.69 IKBKB (0.49) CTSLCTSBCTSKCHRNB2CHRNA7
SCHEMBL10195730 0.69 HSD17B10 (0.68) HSD17B10DRD2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 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 (2 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-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CTSL 868/4885CTSB 630/4885CTSK 1314/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CTSL 868/4885CTSB 630/4885CTSK 1314/4885

“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.