SCHEMBL17806206

SCHEMBL17806206

CC(C)N1CCc2ccc(-c3cnn(C)c3)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.48
▸ BRD4 O60885 2/20 0.44
▸ CREBBP Q92793 2/20 0.44
▸ GSK3B P49841 4/20 0.41
▸ DYRK1A Q13627 4/20 0.41
▸ WNT1 P04628 3/20 0.41
▸ ACVR1 Q04771 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ NOTUM Q6P988 1/20 0.40
▸ PRMT5 O14744 1/20 0.40
▸ WDR77 Q9BQA1 1/20 0.40
▸ LRRK2 Q5S007 1/20 0.40
▸ PIK3CA P42336 2/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ PI4KA P42356 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ PI4KB Q9UBF8 1/20 0.39
▸ CYBB P04839 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL17806259 0.92 KDM1A (0.49) KDM1ABRD4CREBBPGSK3BDYRK1A
SCHEMBL17806217 0.89 NOTUM (0.51) KDM1ABRD4CREBBPACVR1NOTUM
SCHEMBL17809508 0.82 KDM1A (0.49) KDM1ABRD4CREBBPGSK3BDYRK1A
SCHEMBL17806201 0.81 CREBBP (0.50) KDM1ABRD4CREBBPACVR1NOTUM
SCHEMBL19368989 0.80 SCD (0.36) KDM1ABRD4CREBBPCHRM1PRMT5
SCHEMBL17806327 0.80 KDM1A (0.48) KDM1ACREBBPGSK3BDYRK1AWNT1
SCHEMBL19538911 0.80 KDM1A (0.46) KDM1ABRD4CREBBPCHRM1PRMT5
SCHEMBL19539083 0.78 CREBBP (0.46) BRD4CREBBP
SCHEMBL22005066 0.78 HSD17B3 (0.43) BRD4NOTUM
SCHEMBL17806213 0.77 CREBBP (0.41) BRD4CREBBPGSK3BDYRK1AWNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10206931-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-19 — — US disclosed
US-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-23 — — US disclosed
US-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-23 — — US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 — — US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 — — US disclosed
US-9763922-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2017-09-19 — — US disclosed
US-9763922-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2017-09-19 — — US disclosed
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 — — 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 (4 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-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 KDM1A 307/4885BRD4 11/4885CREBBP 6/4885
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 KDM1A 307/4885BRD4 11/4885CREBBP 6/4885
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, CREBBP, HDAC1 KDM1A 345/4885BRD4 18/4885CREBBP 2/4885
US-10206931-B2 Therapeutic compounds and uses thereof EP300, CREBBP, HDAC1 KDM1A 345/4885BRD4 18/4885CREBBP 2/4885

“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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