SCHEMBL20116408

SCHEMBL20116408

CC(C)n1ncc2ccc(N3CC4(CCN(C(=O)OC5CC5)CC4)C3)cc21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.40
HSD17B10 Q99714 3/20 0.40
CYP3A4 P08684 3/20 0.40
USP2 O75604 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP2C19 P33261 2/20 0.40
MAPK1 P28482 2/20 0.40
HPGD P15428 1/20 0.40
HIF1A Q16665 1/20 0.40
CYP1A2 P05177 2/20 0.40
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGER3 P43115 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
SCHEMBL20116941 0.86 CYP11B2 (0.43) HSD17B10CYP3A4USP2ALDH1A1CYP2C19
SCHEMBL20116497 0.80 CYP2D6 (0.40) HSD17B10CYP3A4USP2ALDH1A1CYP2C19
SCHEMBL20116435 0.78 ALDH1A1 (0.41) HSD17B10CYP3A4USP2ALDH1A1CYP2C19
SCHEMBL20116155 0.76 GPR119 (0.36) HRH3PTGER3
SCHEMBL20116438 0.75 TSHR (0.43) HSD17B10CYP3A4USP2ALDH1A1CYP2C19
SCHEMBL20117145 0.75 MAPT (0.48) HRH3HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL22358278 0.73 SMO (0.49) ALDH1A1MAPK1TSHRSMN1; SMN2
SCHEMBL20117195 0.72 CYP3A4 (0.46) HSD17B10CYP3A4USP2ALDH1A1CYP2C19
SCHEMBL22358338 0.72 CYP11B2 (0.45) HSD17B10CYP3A4USP2ALDH1A1CYP2C19
SCHEMBL20116826 0.71 CYP3A4 (0.44) HRH3HSD17B10CYP3A4USP2ALDH1A1

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 HRH3 1707/4885HSD17B10 1103/4885CYP3A4 1178/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 HRH3 1707/4885HSD17B10 1103/4885CYP3A4 1178/4885

“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.