SCHEMBL21596822

SCHEMBL21596822

Nc1noc2c(OCC3CC3)cccc12

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DCPS Q96C86 4/20 0.44
DHFR P00374 1/20 0.44
MCHR1 Q99705 4/20 0.43
HTR2C P28335 5/20 0.41
IKBKB O14920 4/20 0.39
CHUK O15111 1/20 0.39
RIPK1 Q13546 1/20 0.38
HTR2A P28223 2/20 0.36
HTR2B P41595 2/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL21596900 0.79 ALDH1A1 (0.44) DHFR
SCHEMBL5022718 0.71 CYP19A1 (0.47) HTR2CRIPK1
SCHEMBL347890 0.70 MCHR1 (0.49) MCHR1HTR2CCNR2
SCHEMBL30881801 0.69 SSTR4 (0.42)
SCHEMBL28966401 0.69 KMT2A (0.37)
SCHEMBL21609209 0.69 PARP10 (0.47)
SCHEMBL12200223 0.68 HTR1B (0.53) MCHR1RIPK1
SCHEMBL16902861 0.68 HTR1B (0.53) MCHR1RIPK1
SCHEMBL10503371 0.68 MCHR1 (0.48) DCPSDHFRMCHR1HTR2CRIPK1
SCHEMBL16557207 0.68 ALDH1A1 (0.56) MCHR1HTR2CRIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260062393-A1 Compounds CTXT PTY LTD (AU) 2026-03-05 US disclosed
US-12365655-B2 Compounds CTXT PTY LTD (AU) 2025-07-22 US disclosed
CN-112334466-B Compounds of formula (I) CTXT私人有限公司 2025-05-30 CN disclosed
EP-4335439-A2 COMPOUNDS CTXT PTY LTD (AU) 2024-03-13 EP disclosed
EP-3810602-B1 COMPOUNDS CTXT PTY LTD (AU) 2023-11-01 EP disclosed
EP-3810602-B1 COMPOUNDS CTXT PTY LTD (AU) 2023-11-01 EP disclosed
US-20220153710-A1 Compounds CTXT PTY LTD (AU) 2022-05-19 US disclosed
US-20220153710-A1 Compounds CTXT PTY LTD (AU) 2022-05-19 US disclosed
EP-3810602-A1 COMPOUNDS CTXT Pty Limited (AU) 2021-04-28 EP disclosed
US-20200039945-A1 Compounds CTXT PTY LIMITED (AU) 2020-02-06 US disclosed
WO-2019243491-A1 COMPOUNDS CTXT PTY LIMITED (AU) 2019-12-26 WO disclosed
WO-2019243491-A1 COMPOUNDS CTXT PTY LIMITED (AU) 2019-12-26 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 (4 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-20220153710-A1 Compounds SLC10A1, ABCB11, PCSK9 DCPS 994/4885DHFR 1073/4885MCHR1 2088/4885
US-20200039945-A1 Compounds SLC10A1, ABCB11, PCSK9 DCPS 993/4885DHFR 1071/4885MCHR1 2083/4885
US-20260062393-A1 Compounds SCN2B, ABCB11, SCN1B DCPS 3120/4885DHFR 2212/4885MCHR1 709/4885
US-12365655-B2 Compounds SLC10A1, ABCB11, PCSK9 DCPS 993/4885DHFR 1071/4885MCHR1 2083/4885

“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.