SCHEMBL1630211

SCHEMBL1630211

Cc1ccc(C2(c3ccccc3F)CCCCC2O)cc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 9/20 0.38
SLC6A4 P31645 8/20 0.38
HDAC4 P56524 2/20 0.38
MAOB P27338 4/20 0.34
MAOA P21397 2/20 0.34
OPRM1 P35372 1/20 0.34

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
SCHEMBL1630796 0.99 SLC6A3 (0.37) SLC6A3SLC6A4HDAC4MAOBMAOA
SCHEMBL10042119 0.96 HDAC4 (0.35) SLC6A3SLC6A4HDAC4MAOBMAOA
SCHEMBL1632006 0.88 HDAC4 (0.42) SLC6A3SLC6A4HDAC4MAOBMAOA
SCHEMBL15436406 0.88 HDAC4 (0.38) SLC6A3SLC6A4HDAC4
SCHEMBL401435 0.88 HDAC4 (0.38) SLC6A3SLC6A4HDAC4
SCHEMBL440243 0.86 ESR1 (0.39) SLC6A3SLC6A4HDAC4
SCHEMBL1629501 0.83 SLC6A3 (0.38) SLC6A3SLC6A4HDAC4OPRM1
SCHEMBL1688019 0.81 MEN1 (0.47) SLC6A3SLC6A4
SCHEMBL1688040 0.80 MEN1 (0.46) SLC6A3SLC6A4
SCHEMBL399556 0.78 RORC (0.45) SLC6A3MAOBOPRM1

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-8470872-B2 Compounds with activity at estrogen receptors ACADIA PHARMACEUTICALS INC. (US) 2013-06-25 US disclosed
US-20120088825-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2012-04-12 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 (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-20120088825-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ESRRB, ESR2, ESRRA SLC6A3 1425/4885SLC6A4 1641/4885HDAC4 1962/4885

“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.