SCHEMBL19683731

SCHEMBL19683731

CCCCC(C)c1cc(C#N)cc(C#N)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
HSD17B10 Q99714 1/20 0.34
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
CYP19A1 P11511 3/20 0.31
CYP2A6 P11509 1/20 0.31
TTR P02766 1/20 0.31
ALB P02768 1/20 0.31
DRD2 P14416 3/20 0.31
DRD3 P35462 3/20 0.31
ADRB2 P07550 4/20 0.31
GRM2 Q14416 1/20 0.31
S1PR1 P21453 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
SCHEMBL18927432 0.90 KCNH2 (0.32) TSHRHSD17B10CNR1CNR2CYP2A6
SCHEMBL22432045 0.83 CNR1 (0.46) CNR1CNR2DRD2DRD3S1PR1
SCHEMBL18500965 0.81 TSHR (0.45) TSHRHSD17B10CYP19A1CYP2A6GRM2
SCHEMBL19272949 0.80 ALDH1A1 (0.36) TSHRHSD17B10CYP2A6TTRALB
SCHEMBL10472613 0.80 MGLL (0.36) TSHRHSD17B10
SCHEMBL21741180 0.77 HRH4 (0.31) TSHRADRB2
SCHEMBL19304426 0.77 PGR (0.33) CNR1CNR2
SCHEMBL25086538 0.77 CNR1 (0.45) TSHRHSD17B10CNR1CNR2DRD2
SCHEMBL19464663 0.75 TSHR (0.50) TSHRHSD17B10CYP19A1CYP2A6GRM2
SCHEMBL8738821 0.75 TTR (0.34) CYP2A6TTRALB

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-20170349552-A1 Treatment of Amyotrophic Lateral Sclerosis NORTHWESTERN UNIVERSITY (US) 2017-12-07 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-20170349552-A1 Treatment of Amyotrophic Lateral Sclerosis SMN1; SMN2, SOD1, NLN TSHR 4791/4885HSD17B10 1474/4885CNR1 2707/4885

“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.