SCHEMBL21042237

SCHEMBL21042237

C=CNCCCC(C)CCC

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
ADH1B P00325 2/20 0.32
ADH1C P00326 2/20 0.32
ADH1A P07327 2/20 0.32
ADH7 P40394 2/20 0.32
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
EPHX1 P07099 1/20 0.31
ADH4 P08319 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL20003036 0.83 ACE2 (0.33) TSHRADH1BADH1CADH1AADH7
SCHEMBL20309281 0.79
SCHEMBL22845127 0.79
SCHEMBL24447300 0.79 TSHR (0.34) TSHRLMNA
SCHEMBL14401888 0.78
SCHEMBL24447215 0.76 OPRM1 (0.37) ADH1BADH1CADH1AADH7EPHX1
SCHEMBL5932832 0.75 TSHR (0.46) TSHRADH1BADH1CADH1AADH7
SCHEMBL1485618 0.74
SCHEMBL21388583 0.74
SCHEMBL17808443 0.73 EPHX1 (0.46) TSHREPHX1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3774843-B1 DIPEPTIDE PIPERIDINE DERIVATIVES MOLECURE SA (PL) 2022-05-25 EP disclosed
US-20210047315-A1 CYCLIC COMPOUND HAVING DOPAMINE D3 RECEPTOR ANTAGONISTIC EFFECT SHIONOGI & CO., LTD. (JP) 2021-02-18 US disclosed
US-10870660-B2 Nitrogen-containing condensed ring compounds having dopamine D3 antagonistic effect SHIONOGI & CO., LTD. (JP) 2020-12-22 US disclosed
WO-2019186497-A1 DIPEPTIDE PIPERIDINE DERIVATIVES Oncoarendi Therapeutics S.A. (PL) 2019-10-03 WO disclosed
US-20190161501-A1 NITROGEN-CONTAINING CONDENSED RING COMPOUNDS HAVING DOPAMINE D3 ANTAGONISTIC EFFECT SHIONOGI & CO., LTD. (JP) 2019-05-30 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 (3 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-20210047315-A1 CYCLIC COMPOUND HAVING DOPAMINE D3 RECEPTOR ANTAGONISTIC EFFECT DRD3, DRD2, DRD1 TSHR 29/4885ADH1B 1141/4885ADH1C 663/4885
US-10870660-B2 Nitrogen-containing condensed ring compounds having dopamine D3 antagonistic effect DRD3, DRD4, DRD2 TSHR 80/4885ADH1B 1750/4885ADH1C 913/4885
US-20190161501-A1 NITROGEN-CONTAINING CONDENSED RING COMPOUNDS HAVING DOPAMINE D3 ANTAGONISTIC EFFECT DRD3, DRD4, DRD2 TSHR 80/4885ADH1B 1750/4885ADH1C 913/4885

“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.