SCHEMBL16624019

SCHEMBL16624019

CCN1CCc2cc(C(F)(F)F)ccc2C1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.52
HRH3 Q9Y5N1 3/20 0.47
NOTUM Q6P988 1/20 0.44
PNMT P11086 1/20 0.44
DPP7 Q9UHL4 2/20 0.43
PHGDH O43175 1/20 0.43
DRD2 P14416 2/20 0.42
DRD3 P35462 1/20 0.42
DRD1 P21728 1/20 0.41
PRMT5 O14744 2/20 0.40
WDR77 Q9BQA1 2/20 0.40
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL6369620 0.94 HRH3 (0.47) ACACBHRH3NOTUMPNMTDPP7
SCHEMBL13939996 0.89 DPP7 (0.51) ACACBNOTUMPNMTDPP7DRD2
SCHEMBL23328576 0.86 HRH3 (0.48) ACACBHRH3PNMTDRD2DRD3
SCHEMBL29964619 0.84 ACACB (0.49) ACACBNOTUMDPP7PHGDHDRD2
SCHEMBL3398601 0.81 ACACB (0.47) ACACBNOTUMDPP7PHGDHDRD2
SCHEMBL27749066 0.81 ACACB (0.49) ACACBNOTUMDPP7PHGDHDRD2
SCHEMBL4390014 0.80 ACACB (0.51) ACACBHRH3PNMTPHGDHDRD2
SCHEMBL13133948 0.79 HTR5A (0.50) HRH3PNMTDRD2DRD3DRD1
SCHEMBL12968836 0.79 MAOA (0.53) ACACBNOTUMPHGDHDRD2DRD3
SCHEMBL6370128 0.79 DRD2 (0.50) HRH3PNMTDRD2DRD3DRD1

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-20210309612-A1 FLUORINATED 2-AMINO-4-(SUBSTITUTED AMINO)PHENYL CARBAMATE DERIVATIVES OCUTERRA THERAPEUTICS, INC. 2021-10-07 US disclosed
WO-2015050212-A1 T-TYPE CALCIUM CHANNEL BLOCKER 日産化学工業株式会社 2015-04-09 WO 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-20210309612-A1 FLUORINATED 2-AMINO-4-(SUBSTITUTED AMINO)PHENYL CARBAMATE DERIVATIVES KCNQ2, KCNQ1, KCNQ3 ACACB 3345/4885HRH3 1100/4885NOTUM 3489/4885

“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.