SCHEMBL17809604

SCHEMBL17809604

CN1CCCc2ccc(-c3cnn(C)c3)cc21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.50
CREBBP Q92793 11/20 0.47
BRD4 O60885 2/20 0.43
CHRM1 P11229 1/20 0.41
WDR5 P61964 1/20 0.41
NOTUM Q6P988 1/20 0.41
CYP11B2 P19099 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PI4KA P42356 1/20 0.41
PIK3CG P48736 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
PIKFYVE Q9Y2I7 1/20 0.40

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
SCHEMBL17809508 0.91 KDM1A (0.49) KDM1ACREBBPBRD4CHRM1WDR5
SCHEMBL17795410 0.88 CREBBP (0.54) KDM1ACREBBPBRD4WDR5NOTUM
SCHEMBL17809587 0.84 CREBBP (0.50) KDM1ACREBBPBRD4WDR5NOTUM
SCHEMBL17806259 0.83 KDM1A (0.49) KDM1ACREBBPBRD4CHRM1CYP11B2
SCHEMBL19368730 0.83 CREBBP (0.47) KDM1ACREBBPBRD4CHRM1
SCHEMBL23199303 0.80 KDM1A (0.59) KDM1ACREBBPBRD4CYP11B2PIK3CD
SCHEMBL19663486 0.80 KDM1A (0.59) KDM1ACREBBPBRD4CYP11B2PIK3CD
SCHEMBL19538911 0.79 KDM1A (0.46) KDM1ACREBBPBRD4CHRM1PIKFYVE
SCHEMBL4434191 0.79 CREBBP (0.77) CREBBPBRD4
SCHEMBL17809509 0.79 WDR5 (0.56) KDM1ACREBBPBRD4WDR5NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3204360-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-08-26 EP 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-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 (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-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 KDM1A 307/4885CREBBP 6/4885BRD4 11/4885
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 KDM1A 307/4885CREBBP 6/4885BRD4 11/4885
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, CREBBP, HDAC1 KDM1A 345/4885CREBBP 2/4885BRD4 18/4885

“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.