SCHEMBL17985307

SCHEMBL17985307

COc1ccc([C@H]2C[C@@H]2CO)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.67
KDM1A O60341 6/20 0.56
MAOA P21397 3/20 0.56
MAOB P27338 3/20 0.56
SLC5A1 P13866 1/20 0.49
SLC5A2 P31639 1/20 0.49
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
HTR2A P28223 2/20 0.45
HTR2B P41595 2/20 0.45
RAB9A P51151 2/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44

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
SCHEMBL16585495 1.00 HTR2C (0.67) HTR2CKDM1AMAOAMAOBSLC5A1
SCHEMBL16585494 1.00 HTR2C (0.67) HTR2CKDM1AMAOAMAOBSLC5A1
SCHEMBL19262122 1.00 HTR2C (0.67) HTR2CKDM1AMAOAMAOBSLC5A1
SCHEMBL6250305 0.86 HTR2C (0.63) HTR2CKDM1AMAOAMAOBSLC5A1
SCHEMBL23995535 0.83 HTR2C (0.69) HTR2CKDM1AMAOAMAOBDRD2
SCHEMBL16591278 0.83 HTR2C (0.69) HTR2CKDM1AMAOAMAOBDRD2
SCHEMBL24529204 0.81 HTR2C (0.67) HTR2CKDM1AMAOAMAOBDRD2
SCHEMBL8939863 0.81 HTR2C (0.49) HTR2CKDM1AMAOAMAOBSLC5A1
SCHEMBL6227345 0.81 HTR2C (0.61) HTR2CKDM1AMAOAMAOBDRD2
SCHEMBL6227343 0.81 HTR2C (0.61) HTR2CKDM1AMAOAMAOBDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738642-B2 Triazolopyridine ether derivatives and their use in neurological and pyschiatric disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 US disclosed
US-9738642-B2 Triazolopyridine ether derivatives and their use in neurological and pyschiatric disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 US disclosed
US-9738642-B2 Triazolopyridine ether derivatives and their use in neurological and pyschiatric disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 US disclosed
US-20160237081-A1 TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS BRISTOL MYERS SQUIBB CO (US) 2016-08-18 US disclosed
US-20160237081-A1 TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS BRISTOL MYERS SQUIBB CO (US) 2016-08-18 US disclosed
US-20160237081-A1 TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS BRISTOL MYERS SQUIBB CO (US) 2016-08-18 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-20160237081-A1 TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS GRM2, GRIK2, GRIA2 HTR2C 34/4885KDM1A 2897/4885MAOA 3333/4885

“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.