SCHEMBL9103741

SCHEMBL9103741

CC(C)C(CN1CCCC(F)(F)C1)N(C)C(=O)c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.42
▸ USP2 O75604 3/20 0.38
▸ CYP3A4 P08684 3/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HDAC4 P56524 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35
▸ TAS1R2 Q8TE23 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
SCHEMBL9103733 1.00 HDAC8 (0.42) HDAC8USP2CYP3A4CYP1A2CYP2D6
SCHEMBL9289051 0.89 CYP3A4 (0.40) USP2CYP3A4CYP1A2CYP2D6TSHR
SCHEMBL9104321 0.89 HDAC8 (0.47) HDAC8TAS1R3TAS1R1TAS1R2
SCHEMBL9104310 0.89 HDAC8 (0.47) HDAC8TAS1R3TAS1R1TAS1R2
SCHEMBL9279362 0.89 HDAC8 (0.42) HDAC8USP2CYP3A4CYP1A2CYP2D6
SCHEMBL9103964 0.87 HTR1A (0.40) —
SCHEMBL9103975 0.87 HTR1A (0.40) —
SCHEMBL31478866 0.87 HTR1A (0.40) —
SCHEMBL9106663 0.84 HDAC8 (0.44) HDAC8TAS1R3TAS1R1TAS1R2
SCHEMBL9106655 0.84 HDAC8 (0.44) HDAC8TAS1R3TAS1R1TAS1R2

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-20130143858-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS ASTRAZENECA AB (SE) 2013-06-06 — — US disclosed
US-8361998-B2 Compounds and their use as IKACh blockers ASTRAZENECA AB 2013-01-29 — — US disclosed
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 — — 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-20130143858-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 HDAC8 1995/4885USP2 3248/4885CYP3A4 1843/4885
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 HDAC8 1995/4885USP2 3248/4885CYP3A4 1843/4885

“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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