SCHEMBL2707385

SCHEMBL2707385

COc1ccc2c(c1)-c1nn(C)cc1C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.46
DRD1 P21728 6/20 0.46
DRD5 P21918 6/20 0.46
DRD3 P35462 6/20 0.46
ACHE P22303 1/20 0.46
METAP1 P53582 1/20 0.44
HTR2C P28335 4/20 0.42
DRD4 P21917 5/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 2/20 0.42
MAPT P10636 2/20 0.42
CYP2C9 P11712 2/20 0.42
HPGD P15428 2/20 0.42
CYP2C19 P33261 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
CYP2D6 P10635 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL2710444 0.91 DRD1 (0.50) DRD2DRD1DRD5DRD3ACHE
SCHEMBL17125334 0.88 DRD4 (0.51) DRD2DRD1DRD5DRD3ACHE
SCHEMBL16300881 0.84 METAP1 (0.43) DRD2DRD1DRD5DRD3ACHE
SCHEMBL2710570 0.79 KDM4E (0.59) DRD2DRD1DRD5DRD3ACHE
SCHEMBL4895916 0.76 METAP1 (0.61) DRD2DRD1DRD5DRD3ACHE
SCHEMBL2709238 0.75 TIPARP (0.41) DRD4ALDH1A1HPGDTSHR
SCHEMBL2708017 0.74 DRD4 (0.70) DRD2DRD1DRD5DRD3ACHE
SCHEMBL182021 0.73 KMT2A (0.46) KDM4EALDH1A1CYP3A4MAPTCYP2C9
SCHEMBL17125335 0.72 SIGMAR1 (0.47) DRD2DRD1DRD5DRD3DRD4
SCHEMBL181747 0.71 STIM1 (0.52) KDM4EALDH1A1CYP3A4MAPTCYP2C9

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-20150274674-A1 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES PTC THERAPEUTICS, INC. (US) 2015-10-01 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-20150274674-A1 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES UPF1, RNMT, VHL DRD2 4786/4885DRD1 4710/4885DRD5 4239/4885

“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.