SCHEMBL20941801

SCHEMBL20941801

CC1=CC2CCCC(C1)N2C

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.45
▸ SLC6A2 P23975 5/20 0.38
▸ SLC6A4 P31645 5/20 0.38
▸ SLC6A3 Q01959 5/20 0.38
▸ HTR6 P50406 1/20 0.33
▸ CHRNB4 P30926 1/20 0.30
▸ CHRNA3 P32297 1/20 0.30

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
SCHEMBL12723078 0.88 SLC6A2 (0.47) MAPK1SLC6A2SLC6A4SLC6A3HTR6
SCHEMBL20117033 0.88 SLC6A2 (0.47) MAPK1SLC6A2SLC6A4SLC6A3HTR6
SCHEMBL917462 0.74 MAPK1 (0.40) MAPK1SLC6A2SLC6A4SLC6A3
SCHEMBL7211602 0.70 SLC6A2 (0.46) MAPK1SLC6A2SLC6A4SLC6A3HTR6
SCHEMBL7214987 0.70 SLC6A2 (0.46) MAPK1SLC6A2SLC6A4SLC6A3HTR6
SCHEMBL7211543 0.69 SLC6A2 (0.46) MAPK1SLC6A2SLC6A4SLC6A3HTR6
SCHEMBL6574900 0.67 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3HTR6CHRNB4
SCHEMBL7210015 0.66 SLC6A2 (0.61) MAPK1SLC6A2SLC6A4SLC6A3HTR6
SCHEMBL1546171 0.66 — —
SCHEMBL25152671 0.65 SLC6A2 (0.50) MAPK1SLC6A2SLC6A4SLC6A3HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10501483-B2 Enamines and diastereo-selective reduction of enamines ALLERGAN, INC. (US) 2019-12-10 — — US disclosed
US-20190119304-A1 ENAMINES AND DIASTEREO-SELECTIVE REDUCTION OF ENAMINES ALLERGAN, INC. 2019-04-25 — — 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-10501483-B2 Enamines and diastereo-selective reduction of enamines ENY2, PNMT, CHRM1 MAPK1 1112/4885SLC6A2 825/4885SLC6A4 1136/4885
US-20190119304-A1 ENAMINES AND DIASTEREO-SELECTIVE REDUCTION OF ENAMINES ENY2, PNMT, CHRM1 MAPK1 1112/4885SLC6A2 825/4885SLC6A4 1136/4885

“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.

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