SCHEMBL18610751

SCHEMBL18610751

O=C(Nc1cccc(Br)n1)[C@@H]1C[C@](F)(CO)CN1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
CFD P00746 13/20 0.39
KIF18A Q8NI77 1/20 0.37
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
GRM5 P41594 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CYP3A4 P08684 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL29544790 0.91 HPGD (0.40) HPGDCFDKIF18ACHRNB2CHRNA4
SCHEMBL18591200 0.91 CHRNB2 (0.41) HPGDCFDKIF18ACHRNB2CHRNA4
SCHEMBL18555528 0.91 HPGD (0.40) HPGDCFDKIF18ACHRNB2CHRNA4
SCHEMBL18591123 0.87 HPGD (0.42) HPGDCFDCHRNB2CHRNA4GRM5
SCHEMBL18555243 0.87 CHRNB2 (0.38) HPGDCFDCHRNB2CHRNA4GRM5
SCHEMBL18555137 0.87 CFD (0.38) HPGDCFDKIF18ACHRNB2CHRNA4
SCHEMBL29545063 0.87 CFD (0.38) HPGDCFDKIF18ACHRNB2CHRNA4
SCHEMBL18578527 0.87 CFD (0.38) HPGDCFDKIF18ACHRNB2CHRNA4
SCHEMBL18554981 0.85 HPGD (0.40) HPGDCFDKIF18ACHRNB2CHRNA4
SCHEMBL30052100 0.85 HPGD (0.40) HPGDCFDKIF18ACHRNB2CHRNA4

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-20170066783-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-09 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-20170066783-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders CFD, F12, F3 HPGD 380/4885CFD 1/4885KIF18A 3987/4885

“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.