SCHEMBL20116438

SCHEMBL20116438

CC(C)n1ncc2ccc(N3CC4(CCNCC4)C3)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.43
ALDH1A1 P00352 8/20 0.43
HSD17B10 Q99714 6/20 0.43
CYP2D6 P10635 6/20 0.43
CYP1A2 P05177 5/20 0.43
USP2 O75604 5/20 0.43
TP53 P04637 4/20 0.43
MAPK1 P28482 3/20 0.43
HIF1A Q16665 1/20 0.43
CYP3A4 P08684 5/20 0.43
HPGD P15428 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CDK4 P11802 5/20 0.41
CCND1 P24385 5/20 0.41
CDK6 Q00534 2/20 0.41
NTRK1 P04629 1/20 0.35
CSF1R P07333 1/20 0.35
NTRK2 Q16620 1/20 0.35
KHK P50053 1/20 0.35
CYP2C19 P33261 4/20 0.35

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 0.76 CYP11B2 (0.43) TSHRALDH1A1HSD17B10CYP1A2USP2
SCHEMBL20116497 0.76 CYP2D6 (0.40) TSHRALDH1A1HSD17B10CYP2D6CYP1A2
SCHEMBL20116408 0.75 HRH3 (0.40) TSHRALDH1A1HSD17B10CYP1A2USP2
SCHEMBL20116435 0.74 ALDH1A1 (0.41) TSHRALDH1A1HSD17B10CYP2D6CYP1A2
SCHEMBL22113120 0.72 CDK4 (0.59) CDK4CCND1CDK6
SCHEMBL15053683 0.68 SOS1 (0.48) CYP2D6CYP1A2TP53CYP3A4CYP2C19
SCHEMBL15053684 0.68 SOS1 (0.48) CYP2D6CYP1A2TP53CYP3A4CYP2C19
SCHEMBL30410846 0.68 CHEK1 (0.41) ALDH1A1PIM3KMOPTGER3
SCHEMBL20665055 0.68 KMO (0.62) ALDH1A1SMN1; SMN2KMOPTGER3
SCHEMBL2144798 0.68 CHEK1 (0.41) ALDH1A1PIM3KMOPTGER3

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 TSHR 4679/4885ALDH1A1 656/4885HSD17B10 1103/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 TSHR 4679/4885ALDH1A1 656/4885HSD17B10 1103/4885

“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.