SCHEMBL7791985

SCHEMBL7791985

CCCCOc1cc(C(C)C)c(C(F)(F)F)cc1C(=O)Nc1cccc2c1CCN(C)C2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.39
PTPN1 P18031 1/20 0.39
BRD9 Q9H8M2 1/20 0.38
KLKB1 P03952 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
S1PR5 Q9H228 1/20 0.37
P2RY1 P47900 1/20 0.37
MAPT P10636 1/20 0.36
PTGES O14684 1/20 0.36
ABHD6 Q9BV23 1/20 0.36
KDR P35968 2/20 0.36
CARM1 Q86X55 1/20 0.35
MAP4K1 Q92918 1/20 0.35
DHODH Q02127 1/20 0.35
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35

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
SCHEMBL7797962 0.97 ACACB (0.38) RXFP1KLKB1MEN1KMT2AP2RY1
SCHEMBL7791943 0.94 MEN1 (0.42) RXFP1KLKB1MEN1KMT2AMAPT
SCHEMBL8185021 0.89 MAP3K5 (0.41) RXFP1KLKB1MEN1KMT2AMAPT
SCHEMBL7801318 0.89 WDR5 (0.41) KLKB1MAPTPTGESMAP4K1
SCHEMBL7792108 0.88 RXFP1 (0.41) RXFP1BRD9KLKB1MAPTPTGES
Hydrochloric Acid SCHEMBL7801341 0.85 MEN1 (0.43) RXFP1KLKB1MEN1KMT2AMAPT
SCHEMBL8068248 0.84 MEN1 (0.43) RXFP1KLKB1MEN1KMT2AMAPT
SCHEMBL7799939 0.84 MEN1 (0.43) RXFP1KLKB1MEN1KMT2AMAPT
SCHEMBL7799949 0.83 MAP3K5 (0.40) MEN1KMT2AMAPTABHD6KDR
SCHEMBL7792082 0.82 MEN1 (0.42) RXFP1MEN1KMT2APTGESKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010025045-A1 Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. 2001-09-27 US disclosed
EP-1025087-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2000-08-09 EP disclosed
WO-1999021836-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1999-05-06 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-20010025045-A1 Substituted isoquinoline derivatives and their use as anticonvulsants INA, GRIN2C, GRIN2A RXFP1 3660/4885PTPN1 4524/4885BRD9 1358/4885

“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.