SCHEMBL21237245

SCHEMBL21237245

CC(C)(C)c1cccc2cc(N3CCCC3)ncc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 2/20 0.46
▸ SOS1 Q07889 4/20 0.41
▸ CNR2 P34972 2/20 0.41
▸ KDM4E B2RXH2 6/20 0.40
▸ GAA P10253 4/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ AR P10275 1/20 0.38
▸ CREBBP Q92793 2/20 0.38
▸ ACHE P22303 1/20 0.38
▸ IP6K1 Q92551 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP3A4 P08684 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
SCHEMBL21237242 0.99 HTR3A (0.44) HTR3ASOS1CNR2KDM4EGAA
SCHEMBL21237473 0.89 HTR3A (0.61) HTR3ASOS1KDM4E
SCHEMBL21237246 0.88 CREBBP (0.44) HTR3ASOS1CNR2KDM4EGAA
SCHEMBL21237355 0.87 HTR3A (0.40) HTR3ASOS1CREBBPCYP3A4
SCHEMBL21237335 0.82 CREBBP (0.40) HTR3ASOS1CREBBP
SCHEMBL21237241 0.82 CREBBP (0.43) HTR3ASOS1CREBBP
SCHEMBL21237243 0.82 CREBBP (0.43) HTR3AARCREBBPTSHR
SCHEMBL21237247 0.82 CREBBP (0.43) HTR3AARCREBBPTSHR
SCHEMBL21237341 0.82 CREBBP (0.43) HTR3ASOS1CREBBP
SCHEMBL21237476 0.81 CREBBP (0.43) HTR3ASOS1CNR2CREBBPCNR1

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 3917/4885SOS1 3470/4885CNR2 635/4885
US-20190241558-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, CREBBP HTR3A 3917/4885SOS1 3470/4885CNR2 635/4885
US-20220127265-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, CREBBP HTR3A 3917/4885SOS1 3470/4885CNR2 635/4885

“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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