SCHEMBL21237473

SCHEMBL21237473

CN1CCN(c2cc3cccc(C(C)(C)C)c3cn2)CC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 9/20 0.61
▸ TNKS O95271 1/20 0.45
▸ HRH4 Q9H3N8 4/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HTR3E A5X5Y0 4/20 0.43
▸ HTR3B O95264 4/20 0.43
▸ HTR3D Q70Z44 4/20 0.43
▸ HTR3C Q8WXA8 4/20 0.43
▸ SOS1 Q07889 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ THPO P40225 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL21237245 0.89 HTR3A (0.46) HTR3ASOS1KDM4E
SCHEMBL21237242 0.88 HTR3A (0.44) HTR3AHRH4SOS1KDM4E
SCHEMBL21237246 0.85 CREBBP (0.44) HTR3ACYP1A2CYP2C19SOS1KDM4E
SCHEMBL21237355 0.85 HTR3A (0.40) HTR3ATNKSSOS1
SCHEMBL21237514 0.84 HTR3A (0.44) HTR3ATNKSHRH4CYP1A2CYP2C19
SCHEMBL19662780 0.82 HTR3A (0.66) HTR3ATNKSHRH4CYP1A2HTR3E
SCHEMBL23761963 0.81 HTR3A (0.64) HTR3ATNKSHRH4CYP1A2HTR3E
SCHEMBL21237335 0.80 CREBBP (0.40) HTR3ASOS1
SCHEMBL21237243 0.80 CREBBP (0.43) HTR3AKMT2A
SCHEMBL21237341 0.80 CREBBP (0.43) HTR3ASOS1

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-20220127265-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2022-04-28 — — US disclosed
US-11247989-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2022-02-15 — — US disclosed
US-20190241558-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2019-08-08 — — 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 (3 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-11247989-B2 Therapeutic compounds and uses thereof EP300, HDAC1, CREBBP HTR3A 3917/4885TNKS 1579/4885HRH4 1313/4885
US-20190241558-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, CREBBP HTR3A 3917/4885TNKS 1579/4885HRH4 1313/4885
US-20220127265-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, CREBBP HTR3A 3917/4885TNKS 1579/4885HRH4 1313/4885

“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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