SCHEMBL16610939

SCHEMBL16610939

COc1nccc2c1c(I)nn2Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.43
CNR2 P34972 4/20 0.43
ACHE P22303 3/20 0.43
CSF1R P07333 1/20 0.40
KDM4E B2RXH2 3/20 0.40
SLC6A4 P31645 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
GUCY1B2 O75343 1/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD1 P21728 1/20 0.40
SLC6A2 P23975 1/20 0.40
GUCY1A2 P33402 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL16611151 0.81 CNR1 (0.40) CNR1CNR2ACHECSF1RKDM4E
SCHEMBL883677 0.75 CNR1 (0.45) CNR1CNR2KDM4ECCR4BUB1
SCHEMBL31272944 0.75 CNR1 (0.45) CNR1CNR2KDM4ECCR4BUB1
SCHEMBL3778598 0.74 CNR1 (0.43) CNR1CNR2POLBBUB1
SCHEMBL13966369 0.74 CCR4 (0.32) CCR4
SCHEMBL875386 0.74 MAPK1 (0.37)
SCHEMBL16610911 0.73 TSHR (0.41) KDM4ECYP1A2ADRA2AALDH1A1HSD17B10
SCHEMBL19730053 0.73 CNR1 (0.43) CNR1CNR2CSF1RKDM4ECCR4
SCHEMBL15266506 0.71 CNR1 (0.41) CNR1CNR2CCR4BUB1
SCHEMBL2047746 0.71 KDM4E (0.42) CNR1CNR2ACHECSF1RKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 EP 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-20160251352-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 CNR1 3168/4885CNR2 2611/4885ACHE 4407/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 CNR1 3168/4885CNR2 2611/4885ACHE 4407/4885

“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.