SCHEMBL10035307

SCHEMBL10035307

Cc1cc(C)c(N2CN(c3c(C)cc(C)cc3C)[C@@H](c3ccccc3)[C@@H]2c2ccccc2)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
MAOB P27338 1/20 0.34
DRD2 P14416 7/20 0.33
DRD4 P21917 5/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
GAA P10253 1/20 0.33
GRIN2B Q13224 1/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL18643566 1.00 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3MAOBDRD2
SCHEMBL14578492 1.00 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3MAOBDRD2
Hydrochloric Acid SCHEMBL14777110 0.98 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3MAOBDRD2
SCHEMBL16307925 0.79 DRD2 (0.46) SLC6A2SLC6A4SLC6A3DRD2DRD4
SCHEMBL10029425 0.75 ATM (0.34) SLC6A2SLC6A4SLC6A3MAOBDRD2
SCHEMBL19367692 0.75 CYP1A2 (0.33) SLC6A2SLC6A4SLC6A3MAOBDRD2
SCHEMBL819223 0.74 HRH3 (0.34) NPSR1MAPTALDH1A1
SCHEMBL16307926 0.74 ALDH1A1 (0.41) SLC6A2SLC6A4SLC6A3NPSR1MAPT
Hydrochloric Acid SCHEMBL819838 0.72 HRH3 (0.33) NPSR1MAPTALDH1A1
SCHEMBL30475183 0.72 ALDH1A1 (0.33) SLC6A2SLC6A4SLC6A3MAOBCYP1A2

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-9938253-B2 Catalysts for efficient Z-selective metathesis TRUSTEES OF BOSTON COLLEGE (US) 2018-04-10 US disclosed
US-9938253-B2 Catalysts for efficient Z-selective metathesis TRUSTEES OF BOSTON COLLEGE (US) 2018-04-10 US disclosed
US-20140371454-A1 CATALYSTS FOR EFFICIENT Z-SELECTIVE METATHESIS TRUSTEES OF BOSTON COLLEGE 2014-12-18 US disclosed
US-8088346-B2 Alkene hydrofunctionalization reactions UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-01-03 US disclosed
US-20090069580-A1 Alkene Hydrofunctionalization Reactions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-12 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 (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-20090069580-A1 Alkene Hydrofunctionalization Reactions ADH1A, ADH1C, ADH5 SLC6A2 1958/4885SLC6A4 1902/4885SLC6A3 1869/4885
US-20140371454-A1 CATALYSTS FOR EFFICIENT Z-SELECTIVE METATHESIS ADH5, ADH1A, ADH1C SLC6A2 3248/4885SLC6A4 2678/4885SLC6A3 3816/4885

“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.