SCHEMBL16631651

SCHEMBL16631651

CCCCOc1cncc(F)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 9/20 0.37
CYP3A4 P08684 6/20 0.37
CYP2C9 P11712 4/20 0.36
CYP19A1 P11511 3/20 0.36
CYP2C19 P33261 3/20 0.36
CYP1A2 P05177 2/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
GABRA6 Q16445 1/20 0.35
GABRG1 Q8N1C3 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
SCHEMBL4263969 0.86 CYP2D6 (0.42) CYP2D6CYP3A4CYP2C9CYP19A1CYP2C19
SCHEMBL16440211 0.78 NPC1 (0.40) CYP2D6CYP3A4CYP2C9CYP19A1CYP2C19
SCHEMBL4268041 0.76 GABRP (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16631695 0.71 GABRP (0.33) CYP2D6CYP3A4CYP2C9CYP19A1CYP2C19
SCHEMBL3272531 0.71 CYP3A4 (0.40) CYP2D6CYP3A4NPC1RAB9AMAPT
SCHEMBL16631653 0.71 NPC1 (0.41) CYP2C9CYP2C19CYP1A2NPC1RAB9A
SCHEMBL2241883 0.71
SCHEMBL4273388 0.71 CYP2D6 (0.54) CYP2D6CYP3A4CYP2C9CYP19A1CYP2C19
SCHEMBL2491035 0.69 MAPT (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10264575 0.69 KMT2A (0.39) MAPTMEN1KMT2AALDH1A1HPGD

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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2016-09-15 US disclosed
WO-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 WO 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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF POLRMT, POLN, NSUN3 CYP2D6 4668/4885CYP3A4 4867/4885CYP2C9 4799/4885

“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.