SCHEMBL20117213

SCHEMBL20117213

O=C(c1ccccc1)N1CCN(c2noc(-c3ccc4cnn(C5COC5)c4c3)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.41
SLC6A7 Q99884 5/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
HDAC4 P56524 1/20 0.40
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
MGLL Q99685 3/20 0.39
GBA1 P04062 2/20 0.38
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
FASN P49327 1/20 0.37
DGAT1 O75907 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
SCHEMBL20116891 0.89 ALDH1A1 (0.43) S1PR1ALDH1A1TSHRGBA1
SCHEMBL20117041 0.88 GBA1 (0.41) S1PR1ALDH1A1GBA1DGAT1
SCHEMBL20116183 0.86 S1PR1 (0.43) S1PR1TSHRTBK1
SCHEMBL20116074 0.86 PIK3CA (0.37) S1PR1PIK3CAMTORDGAT1
SCHEMBL20116840 0.85 MGLL (0.46) ALDH1A1PIK3CAMTORMGLL
SCHEMBL20676449 0.85 S1PR1 (0.41) S1PR1SLC6A7ALDH1A1
SCHEMBL20116167 0.85 S1PR1 (0.46) S1PR1GBA1TBK1
SCHEMBL20116162 0.85 TBK1 (0.37) S1PR1TSHRMTORCKS1BSKP1
SCHEMBL20117160 0.84 S1PR1 (0.39) S1PR1FASNTBK1
SCHEMBL20676342 0.83 FASN (0.35) S1PR1PIK3CAFASN

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 S1PR1 2213/4885SLC6A7 472/4885ALDH1A1 656/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 S1PR1 2213/4885SLC6A7 472/4885ALDH1A1 656/4885

“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.