SCHEMBL17573237

SCHEMBL17573237

C[C@@H]1CCCCCCCCCCN1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CHRM2 P08172 4/20 0.38
CHRM4 P08173 3/20 0.38
CHRM5 P08912 3/20 0.38
CHRM1 P11229 3/20 0.38
CHRM3 P20309 3/20 0.38
CYP2D6 P10635 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 1/20 0.38
MLNR O43193 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
SCHEMBL16364352 1.00 TSHR (0.45) TSHRTDP1CYP2C9CYP2C19CHRM2
SCHEMBL2101753 1.00
SCHEMBL16572707 1.00 TSHR (0.45) TSHRTDP1CYP2C9CYP2C19CHRM2
SCHEMBL14117903 1.00 TSHR (0.45) TSHRTDP1CYP2C9CYP2C19CHRM2
SCHEMBL2099026 1.00
SCHEMBL446418 1.00
SCHEMBL19200432 1.00 TSHR (0.45) TSHRTDP1CYP2C9CYP2C19CHRM2
SCHEMBL15929564 1.00 TSHR (0.45) TSHRTDP1CYP2C9CYP2C19CHRM2
SCHEMBL20636071 1.00
SCHEMBL28416123 1.00 TSHR (0.45) TSHRTDP1CYP2C9CYP2C19CHRM2

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-9789089-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2017-10-17 US disclosed
US-20160067224-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-03-10 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-20160067224-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD TSHR 4662/4885TDP1 1782/4885CYP2C9 654/4885

“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.