SCHEMBL8201616

SCHEMBL8201616

c1ccc2c(c1)CC1O[C@H]21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
HTR2A P28223 5/20 0.43
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
KDM1A O60341 4/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
HTR2C P28335 4/20 0.39
HRH1 P35367 4/20 0.39

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
SCHEMBL2370159 1.00 KMT2A (0.46) KMT2AHTR2AGRIN2DGRIN3BGRIN1
SCHEMBL2696782 1.00 KMT2A (0.46) KMT2AHTR2AGRIN2DGRIN3BGRIN1
SCHEMBL5061699 1.00 KMT2A (0.46) KMT2AHTR2AGRIN2DGRIN3BGRIN1
SCHEMBL20384849 0.94 KMT2A (0.42) KMT2AHTR2AGRIN2DGRIN3BGRIN1
Benzonitrile SCHEMBL8546884 0.84 TSHR (0.47) KMT2AHTR2AGRIN2DGRIN3BGRIN1
SCHEMBL31546141 0.78 KMT2A (0.39) KMT2A
SCHEMBL7108519 0.77 IDO1 (0.47) HTR2A
SCHEMBL28971366 0.77 IDO1 (0.47) HTR2A
SCHEMBL5852603 0.77 IDO1 (0.47) HTR2A
SCHEMBL1109727 0.77 IDO1 (0.47) HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286160-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS INTERVET INC. 2010-11-11 US disclosed
US-20080119510-A1 Substituted Imidazo [4,5-B] Pyridines As Inhibitors Of Gastric Acid Secretion ALTANA PHARMA AG (DE) 2008-05-22 US disclosed
CN-1279714-A Epoxide hydrolase PURATOS NV (BE) 2001-01-10 CN disclosed
EP-1025213-A1 EPOXIDE HYDROLASE PURATOS N.V. (BE) 2000-08-09 EP disclosed
WO-1999021972-A1 EPOXIDE HYDROLASE PURATOS NAAMLOZE VENNOOTSCHAP (BE) 1999-05-06 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 (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-20100286160-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS CNR1, CNR2, GPR119 KMT2A 1954/4885HTR2A 37/4885GRIN2D 356/4885
US-20080119510-A1 Substituted Imidazo [4,5-B] Pyridines As Inhibitors Of Gastric Acid Secretion GIPR, CCKBR, GRPR KMT2A 3874/4885HTR2A 1970/4885GRIN2D 3108/4885

“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.