SCHEMBL20116435

SCHEMBL20116435

CC(C)n1ncc2ccc(N3CC4(CCN(C(=O)c5ccccc5Cl)CC4)C3)cc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.41
GBA1 P04062 1/20 0.41
USP2 O75604 8/20 0.40
SMN1; SMN2 Q16637 8/20 0.40
CYP3A4 P08684 6/20 0.40
CYP1A2 P05177 6/20 0.40
HPGD P15428 6/20 0.40
HSD17B10 Q99714 6/20 0.40
CYP2C19 P33261 5/20 0.40
HIF1A Q16665 5/20 0.40
TSHR P16473 4/20 0.40
CYP2D6 P10635 4/20 0.40
CYP2C9 P11712 4/20 0.40
MAPK1 P28482 6/20 0.40
AR P10275 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.38
DGAT1 O75907 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL20116497 0.79 CYP2D6 (0.40) ALDH1A1USP2SMN1; SMN2CYP3A4CYP1A2
SCHEMBL20116408 0.78 HRH3 (0.40) ALDH1A1USP2SMN1; SMN2CYP3A4CYP1A2
SCHEMBL22357995 0.76 MAPT (0.42) ALDH1A1GBA1SMN1; SMN2HPGDHSD17B10
SCHEMBL20116456 0.76 GBA1 (0.44) ALDH1A1GBA1HPGDHSD17B10KMT2A
SCHEMBL20116438 0.74 TSHR (0.43) ALDH1A1USP2SMN1; SMN2CYP3A4CYP1A2
SCHEMBL22357857 0.72 HSD11B1 (0.54) ALDH1A1SMN1; SMN2CYP3A4CYP2C19TSHR
SCHEMBL22358562 0.72 HSD11B1 (0.49) ALDH1A1SMN1; SMN2KDM4E
SCHEMBL20116792 0.72 DCTPP1 (0.41) ALDH1A1USP2SMN1; SMN2CYP3A4CYP1A2
SCHEMBL20116472 0.69 CYP2C9 (0.42) ALDH1A1USP2SMN1; SMN2CYP3A4CYP1A2
SCHEMBL20117195 0.67 CYP3A4 (0.46) ALDH1A1USP2SMN1; SMN2CYP3A4CYP1A2

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 ALDH1A1 656/4885GBA1 28/4885USP2 4112/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 ALDH1A1 656/4885GBA1 28/4885USP2 4112/4885

“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.