SCHEMBL20116472

SCHEMBL20116472

CC(=O)N1CCC2(CC1)CN(c1nc(-c3ccc4cnn(C(C)C)c4c3)no1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.42
ALDH1A1 P00352 5/20 0.41
CYP2C19 P33261 4/20 0.41
MAPK1 P28482 2/20 0.41
USP2 O75604 5/20 0.39
HPGD P15428 4/20 0.39
HSD17B10 Q99714 4/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 3/20 0.38
CYP3A4 P08684 3/20 0.38
MEN1 O00255 2/20 0.38
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HIF1A Q16665 2/20 0.38
TSHR P16473 2/20 0.38
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
ALOX12 P18054 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
SCHEMBL20117195 0.90 CYP3A4 (0.46) CYP2C9ALDH1A1CYP2C19MAPK1USP2
SCHEMBL20116732 0.88 SCD5 (0.43) ACACBMAPTLMNANPC1HTT
SCHEMBL20676639 0.86 MAPT (0.37) ACACBACACAMAPTLMNAGAA
SCHEMBL20116478 0.84 MAPT (0.39) ALDH1A1HSD17B10KMT2AMEN1SMN1; SMN2
SCHEMBL20116774 0.80 MAPT (0.37) MAPTLMNAGAANPC1HTT
SCHEMBL20116724 0.80 MAPT (0.45) ALDH1A1HSD17B10SMN1; SMN2MAPTLMNA
SCHEMBL20116712 0.80 MAPT (0.41) ALDH1A1HSD17B10SMN1; SMN2HDAC8MAPT
SCHEMBL22358259 0.80 MAPT (0.51) ALDH1A1HSD17B10KMT2AMEN1SMN1; SMN2
SCHEMBL22358256 0.79 MAPT (0.46) HSD17B10MAPTLMNAGAANPC1
SCHEMBL22358261 0.79 HDAC4 (0.43) ALDH1A1HSD17B10KMT2AMEN1SMN1; SMN2

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 CYP2C9 1658/4885ALDH1A1 656/4885CYP2C19 1758/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 CYP2C9 1658/4885ALDH1A1 656/4885CYP2C19 1758/4885

“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.