SCHEMBL20094680

SCHEMBL20094680

CCCCCCCCC(CCCCCCC)N1CCC(N(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.38
BCHE P06276 2/20 0.33
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 1/20 0.32
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32
FDPS P14324 3/20 0.32

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
SCHEMBL24040221 1.00 SPHK1 (0.38) SPHK1BCHEADH1CADH1AADH4
SCHEMBL19619621 1.00 SPHK1 (0.38) SPHK1BCHEADH1CADH1AADH4
SCHEMBL20781650 0.92 SPHK1 (0.34) SPHK1BCHEADH1CADH1AADH4
SCHEMBL20781658 0.92 SPHK1 (0.34) SPHK1BCHEADH1CADH1AADH4
SCHEMBL23844606 0.92 SPHK1 (0.34) SPHK1BCHEADH1CADH1AADH4
SCHEMBL21440024 0.84 GPR84 (0.34) SPHK1FDPS
SCHEMBL20215967 0.82 ADH1C (0.33) SPHK1BCHEADH1CADH1AADH4
SCHEMBL23219730 0.82 BCHE (0.37) SPHK1BCHE
SCHEMBL23733462 0.80 GNAI3 (0.38) GNAI3GNAO1GNAI1FDPS
SCHEMBL19055353 0.80 SIGMAR1 (0.35) GNAI3GNAO1GNAI1FDPS

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11180474-B2 Dimethoxyphenyl substituted indole compounds as TLR7, TLR8 or TLR9 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-11-23 US disclosed
US-20180111939-A1 7-(MORPHOLIN-4-YL)PYRAZOLE[1,5-A]PYRIMIDINE DERIVATIVES WHICH ARE USEFUL FOR THE TREATMENT OF IMMUNE OR INFALMMATORY DISEASES OR CANCER CELON PHARMA S.A. (PL) 2018-04-26 US 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-20180111939-A1 7-(MORPHOLIN-4-YL)PYRAZOLE[1,5-A]PYRIMIDINE DERIVATIVES WHICH ARE USEFUL FOR THE TREATMENT OF IMMUNE OR INFALMMATORY DISEASES OR CANCER AFF2, INF2, AFF1 SPHK1 975/4885BCHE 3782/4885ADH1C 331/4885
US-11180474-B2 Dimethoxyphenyl substituted indole compounds as TLR7, TLR8 or TLR9 inhibitors TLR9, TLR7, TLR8 SPHK1 782/4885BCHE 4783/4885ADH1C 3893/4885

“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.