SCHEMBL9880974

SCHEMBL9880974

CC(C)C(CN)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.45
MAOA P21397 1/20 0.40
PTGS1 P23219 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
LMNA P02545 1/20 0.39
HTR2A P28223 1/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.37
SLC6A4 P31645 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
SCHEMBL7347849 0.81 LMNA (0.41) MAOAPTGS1MTNR1AMTNR1BLMNA
SCHEMBL19758123 0.79 TRPA1 (0.44) MTNR1AMTNR1BLMNAKDM4ESLC6A4
SCHEMBL14653108 0.79 TRPA1 (0.44) MTNR1AMTNR1BLMNAKDM4ESLC6A4
SCHEMBL17896199 0.79 TRPA1 (0.44) MTNR1AMTNR1BLMNAKDM4ESLC6A4
SCHEMBL5729049 0.78 MTNR1A (0.50) TAAR1MAOAPTGS1MTNR1AMTNR1B
SCHEMBL3160069 0.78 MTNR1A (0.50) TAAR1MAOAPTGS1MTNR1AMTNR1B
SCHEMBL19758141 0.78 LMNA (0.57) MAOAPTGS1MTNR1AMTNR1BLMNA
Bromide SCHEMBL11719047 0.77 MTNR1A (0.49) TAAR1MAOAPTGS1MTNR1AMTNR1B
SCHEMBL28546046 0.76 SLC6A4 (0.39) MAOAPTGS1MTNR1AMTNR1BLMNA
SCHEMBL7971270 0.73 TAAR1 (0.42) TAAR1MAOAPTGS1MTNR1AMTNR1B

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-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME AERIE PHARMACEUTICALS, INC. 2012-05-31 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-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME SLC6A2, ROCK2, SLC6A4 TAAR1 1298/4885MAOA 12/4885PTGS1 1230/4885

“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.