SCHEMBL16418634

SCHEMBL16418634

Cn1cc2c(C(C)(C)C)cccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.38
▸ CREBBP Q92793 3/20 0.36
▸ BRD4 O60885 2/20 0.36
▸ USP7 Q93009 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NSD2 O96028 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CHRM1 P11229 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ DRD2 P14416 2/20 0.31

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
SCHEMBL24858186 0.75 MET (0.35) MAPTALDH1A1KDM4ENSD2ADORA1
SCHEMBL7946910 0.75 CYP2A6 (0.42) CREBBPBRD4USP7MAPTALDH1A1
SCHEMBL16775248 0.75 CREBBP (0.38) CREBBPBRD4USP7MAPTALDH1A1
SCHEMBL25950686 0.74 ALDH1A1 (0.33) MAPTALDH1A1KDM4ENSD2POLB
SCHEMBL913856 0.73 ALDH1A1 (0.43) CREBBPBRD4USP7MAPTALDH1A1
SCHEMBL544118 0.73 BACE1 (0.40) CREBBPBRD4USP7MAPTALDH1A1
SCHEMBL17547027 0.73 CREBBP (0.37) CREBBPBRD4USP7MAPTALDH1A1
SCHEMBL8538647 0.73 KDM4E (0.41) CREBBPBRD4USP7MAPTALDH1A1
SCHEMBL19539233 0.73 BRD4 (0.40) CREBBPBRD4USP7MAPTALDH1A1
Hydrochloric Acid SCHEMBL8102475 0.72 ALDH1A1 (0.42) CREBBPBRD4USP7MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-11 — — US disclosed
US-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-11 — — US disclosed
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KUMQUAT BIOSCIENCES INC. (US) 2023-05-16 — — US disclosed
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KUMQUAT BIOSCIENCES INC. (US) 2023-05-16 — — US disclosed
US-20230064360-A1 HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-03-02 — — US disclosed
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
WO-2021191359-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-09-30 — — WO disclosed
US-20190241558-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2019-08-08 — — US disclosed
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 — — US disclosed
US-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS AMGEN INC (US) 2015-01-29 — — 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 (8 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-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KRAS, NRAS, BRAF CA2 4227/4885CREBBP 1572/4885BRD4 1582/4885
US-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS TRPM8, TRPM5, TRPM7 CA2 170/4885CREBBP 2932/4885BRD4 2446/4885
US-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP CA2 3102/4885CREBBP 3221/4885BRD4 2390/4885
US-20230064360-A1 HETEROCYCLES AND USES THEREOF KRAS, HRAS, TP53 CA2 2055/4885CREBBP 166/4885BRD4 147/4885
US-11247989-B2 Therapeutic compounds and uses thereof EP300, HDAC1, CREBBP CA2 3042/4885CREBBP 3/4885BRD4 9/4885
US-20190241558-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, CREBBP CA2 3042/4885CREBBP 3/4885BRD4 9/4885
US-20220127265-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, CREBBP CA2 3042/4885CREBBP 3/4885BRD4 9/4885
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 CA2 1067/4885CREBBP 1179/4885BRD4 1938/4885

“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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