SCHEMBL16079969

SCHEMBL16079969

CC(C)C1CCCC(=O)N1C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.37
BRD2 P25440 1/20 0.37
PIK3CD O00329 2/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
SRD5A1 P18405 6/20 0.33
MAPK1 P28482 1/20 0.33
P2RX7 Q99572 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
SCHEMBL10491068 0.94 BRD4 (0.35) BRD4BRD2PIK3CDSRD5A1MAPK1
SCHEMBL9980265 0.87 SRD5A1 (0.39) PIK3CDSRD5A1MAPK1
SCHEMBL10303898 0.87 SRD5A1 (0.39) PIK3CDSRD5A1MAPK1
SCHEMBL23006430 0.78 PIK3CD (0.33) BRD4BRD2PIK3CDCHRNB2CHRNB4
SCHEMBL4737540 0.75 MAPK1 (0.38) PIK3CDMAPK1
SCHEMBL22114509 0.75 PIK3CD (0.39) PIK3CDP2RX7
SCHEMBL19286109 0.75 CYP2D6 (0.34) BRD4BRD2PIK3CDCHRNB2CHRNB4
SCHEMBL15292560 0.75 BRD4 (0.33) BRD4BRD2PIK3CDCHRNB2CHRNB4
SCHEMBL10160264 0.73
SCHEMBL20200115 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240024318-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-01-25 US disclosed
US-20230226186-A1 RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-20 US disclosed
US-20230226186-A1 RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-20 US disclosed
US-11690915-B2 Ras inhibitors Revolution Medicines, Inc. (US) 2023-07-04 US disclosed
US-11690915-B2 Ras inhibitors Revolution Medicines, Inc. (US) 2023-07-04 US disclosed
US-11679109-B2 SMARCA degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-06-20 US disclosed
US-20170022180-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2017-01-26 US disclosed
US-9458168-B2 Bicyclic-fused heteroaryl or aryl compounds PFIZER INC. (US) 2016-10-04 US disclosed
US-20160229831-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-08-11 US disclosed
US-20160151369-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-06-02 US disclosed
US-20150284405-A1 Bicyclic-Fused Heteroaryl or Aryl Compounds PFIZER INC. (US) 2015-10-08 US disclosed
US-9133154-B2 Substituted 3-phenylpropylamine derivatives for the treatment of ophthalmic diseases and disorders ACUCELA INC. (US) 2015-09-15 US disclosed
US-20140275043-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-09-18 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 (9 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-20140275043-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, PSEN2, CLN6 BRD4 1317/4885BRD2 539/4885PIK3CD 2046/4885
US-20160229831-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, PSEN2, CLN6 BRD4 1317/4885BRD2 539/4885PIK3CD 2046/4885
US-20240024318-A1 SMARCA DEGRADERS AND USES THEREOF SMARCA1, SMARCA2, SMARCC2 BRD4 293/4885BRD2 401/4885PIK3CD 1678/4885
US-11690915-B2 Ras inhibitors KRAS, NRAS, HRAS BRD4 890/4885BRD2 1657/4885PIK3CD 146/4885
US-20150284405-A1 Bicyclic-Fused Heteroaryl or Aryl Compounds UGT2B7, CYP3A43, CYP3A4 BRD4 1973/4885BRD2 3084/4885PIK3CD 2776/4885
US-20230226186-A1 RAS INHIBITORS KRAS, NRAS, HRAS BRD4 890/4885BRD2 1657/4885PIK3CD 146/4885
US-11679109-B2 SMARCA degraders and uses thereof SMARCA1, SMARCA2, SMARCC2 BRD4 293/4885BRD2 401/4885PIK3CD 1678/4885
US-20170022180-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, PSEN2, CLN6 BRD4 1317/4885BRD2 539/4885PIK3CD 2046/4885
US-20160151369-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, PSEN2, CLN6 BRD4 1317/4885BRD2 539/4885PIK3CD 2046/4885

“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.