SCHEMBL20375684

SCHEMBL20375684

CCc1ccc(CC(C)c2ccccn2)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 3/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.38
▸ ESR1 P03372 2/20 0.38
▸ ESR2 Q92731 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ TSHR P16473 2/20 0.37
▸ KCNE1 P15382 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CXCR4 P61073 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MEN1 O00255 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
SCHEMBL29750645 0.81 L3MBTL1 (0.41) KCNA5KCNH2ESR1ESR2CYP2D6
SCHEMBL26278070 0.81 ESR1 (0.45) KCNA5KCNH2HRH3ESR1ESR2
SCHEMBL23986930 0.81 NOS3 (0.41) KCNA5KCNH2CYP2D6CYP1A2TSHR
SCHEMBL24465825 0.80 ESR1 (0.51) HRH3ESR1ESR2CYP2D6CYP1A2
SCHEMBL18427303 0.77 KCNA5 (0.39) KCNA5KCNH2ESR1ESR2CYP2D6
SCHEMBL12810601 0.76 HRH3 (0.47) HRH3ESR1ESR2CYP2D6CYP1A2
SCHEMBL19654056 0.74 KDM4E (0.56) HRH3CYP2D6CYP1A2TSHRMAPT
SCHEMBL3249970 0.74 MAOA (0.50) KCNA5KCNH2ESR1ESR2CYP2D6
SCHEMBL20385424 0.73 ESR1 (0.46) KCNA5KCNH2ESR1ESR2CYP2D6
SCHEMBL20385505 0.73 ESR1 (0.46) KCNA5KCNH2ESR1ESR2CYP2D6

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-10973810-B2 Methods for the treatment of neurological disorders YUMANITY THERAPEUTICS, INC. (US) 2021-04-13 — — US disclosed
US-20180193325-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2018-07-12 — — 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 (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-10973810-B2 Methods for the treatment of neurological disorders NLN, CLN6, OTC KCNA5 1350/4885KCNH2 974/4885HRH3 1453/4885
US-20180193325-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, CLN6, OTC KCNA5 1350/4885KCNH2 974/4885HRH3 1453/4885

“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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