SCHEMBL20116244

SCHEMBL20116244

COC(=O)N1CCC(c2noc(-c3ccc4cnn([C@H]5CCOC5)c4c3)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 7/20 0.41
SMO Q99835 1/20 0.40
USP7 Q93009 1/20 0.40
KIT P10721 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PIK3CA P42336 2/20 0.38
MTOR P42345 2/20 0.38
PIK3CG P48736 1/20 0.38
MAPK14 Q16539 1/20 0.38
CSNK1G1 Q9HCP0 1/20 0.38
USP30 Q70CQ3 1/20 0.38
HTT P42858 1/20 0.38
CREBBP Q92793 1/20 0.37
TBK1 Q9UHD2 1/20 0.37

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
SCHEMBL20116302 1.00 PIK3CD (0.41) PIK3CDSMOUSP7KITSMN1; SMN2
SCHEMBL22358038 1.00 PIK3CD (0.41) PIK3CDSMOUSP7KITSMN1; SMN2
SCHEMBL20116089 0.94 SMO (0.42) PIK3CDSMOUSP7KITSMN1; SMN2
SCHEMBL20116304 0.92 GPR119 (0.47) PIK3CDPIK3CAMTORPIK3CGUSP30
SCHEMBL22358156 0.92 GPR119 (0.47) PIK3CDPIK3CAMTORPIK3CGUSP30
SCHEMBL20676725 0.92 GPR119 (0.47) PIK3CDPIK3CAMTORPIK3CGUSP30
SCHEMBL20116243 0.91 KDM4E (0.42) SMOUSP7KITSMN1; SMN2KDM4E
SCHEMBL22358154 0.90 PIK3CD (0.38) PIK3CDUSP7KITSMN1; SMN2USP30
SCHEMBL26998891 0.90 SMO (0.39) PIK3CDSMOUSP7SMN1; SMN2USP30
SCHEMBL22358410 0.90 TBK1 (0.43) PIK3CDUSP7KITSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 US disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO 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 (2 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-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 PIK3CD 3927/4885SMO 1858/4885USP7 4265/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 PIK3CD 3927/4885SMO 1858/4885USP7 4265/4885

“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.