SCHEMBL4391087

SCHEMBL4391087

CC1CCC(c2ccccc2)(c2ccccc2)CN1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.48
OPRM1 P35372 3/20 0.42
MEN1 O00255 1/20 0.41
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DRD4 P21917 1/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
GRIN1 Q05586 1/20 0.37
KCNH2 Q12809 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL4390692 0.81 HTR2A (0.42) HTR2AOPRM1MEN1CYP2C9KMT2A
SCHEMBL8101425 0.74 OPRM1 (0.50) OPRM1MEN1CYP2C9KMT2AMAPK1
SCHEMBL27798755 0.74 HTR2A (0.44) HTR2AOPRM1MEN1CYP2C9KMT2A
SCHEMBL2019808 0.69 MAPK1 (0.46) OPRM1MAPK1SMN1; SMN2DRD4
SCHEMBL8093890 0.67 OPRM1 (0.47) HTR2AOPRM1MEN1CYP2C9KMT2A
SCHEMBL3552547 0.67 SLC6A2 (0.42) OPRM1GRIN2B
SCHEMBL5332896 0.66 MEN1 (0.54) HTR2AOPRM1MEN1CYP2C9KMT2A
SCHEMBL423267 0.66 OPRL1 (0.60) OPRM1MEN1CYP2C9KMT2AMAPK1
SCHEMBL1046438 0.66 OPRM1 (0.50) HTR2AOPRM1MEN1CYP2C9KMT2A
SCHEMBL2313435 0.66 HTR2A (1.00) HTR2AOPRM1MEN1CYP2C9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120190854-A1 Hydroamination of Alkenes THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-07-26 US disclosed
US-20120190854-A1 Hydroamination of Alkenes THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-07-26 US disclosed
US-20120190854-A1 Hydroamination of Alkenes THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-07-26 US disclosed
US-8188302-B2 Hydroamination of alkenes THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-05-29 US disclosed
US-8188302-B2 Hydroamination of alkenes THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-05-29 US disclosed
US-8188302-B2 Hydroamination of alkenes THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-05-29 US disclosed
US-20090156824-A1 Hydroamination of Alkenes BOARD OF TRUSTEES OF UNIVERSITY OF ILLINOIS (US) 2009-06-18 US disclosed
US-20090156824-A1 Hydroamination of Alkenes BOARD OF TRUSTEES OF UNIVERSITY OF ILLINOIS (US) 2009-06-18 US disclosed
US-20090156824-A1 Hydroamination of Alkenes BOARD OF TRUSTEES OF UNIVERSITY OF ILLINOIS (US) 2009-06-18 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 (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-20090156824-A1 Hydroamination of Alkenes HRH3, HRH4, H1-3 HTR2A 2025/4885OPRM1 465/4885MEN1 2660/4885
US-20120190854-A1 Hydroamination of Alkenes HRH3, HRH4, H1-3 HTR2A 2025/4885OPRM1 465/4885MEN1 2660/4885

“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.