SCHEMBL21041601

SCHEMBL21041601

c1ccc(Cn2cc3c(n2)CNCC3)cc1

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 7/20 0.81
▸ HTR2B P41595 4/20 0.52
▸ HTR7 P34969 2/20 0.44
▸ AADAT Q8N5Z0 2/20 0.42
▸ HTR1A P08908 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ PNMT P11086 1/20 0.40
▸ CD44 P16070 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL14861358 0.88 HTR2C (0.81) HTR2CHTR2BHTR7AADATHTR1A
SCHEMBL24507078 0.86 HTR2C (0.64) HTR2CHTR2BAADATSIGMAR1
SCHEMBL20319013 0.76 HTR2C (0.48) HTR2CHTR2BHTR2APNMTCD44
SCHEMBL29935595 0.74 HTR2C (0.46) HTR2CHTR2BAADATHTR2APNMT
SCHEMBL24507024 0.73 L3MBTL1 (0.51) HTR2CSIGMAR1
SCHEMBL19005683 0.73 HTR2C (0.44) HTR2CHTR2BPNMTCD44MAOB
SCHEMBL24506896 0.72 HTR2C (0.47) HTR2C
SCHEMBL24507023 0.72 HTR2C (0.47) HTR2C
Hydrochloric Acid SCHEMBL28377835 0.72 HTR2C (0.43) HTR2CHTR2BPNMTCD44MAOB
SCHEMBL29795113 0.71 HTR2C (0.47) HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11345716-B2 Nitrogen-containing condensed ring compounds having dopamine D3 antagonistic effect SHIONOGI & CO., LTD. (JP) 2022-05-31 — — US disclosed
US-20210009607-A1 NITROGEN-CONTAINING CONDENSED RING COMPOUNDS HAVING DOPAMINE D3 ANTAGONISTIC EFFECT SHIONOGI & CO., LTD. (JP) 2021-01-14 — — US disclosed
US-10870660-B2 Nitrogen-containing condensed ring compounds having dopamine D3 antagonistic effect SHIONOGI & CO., LTD. (JP) 2020-12-22 — — US 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 (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-11345716-B2 Nitrogen-containing condensed ring compounds having dopamine D3 antagonistic effect DRD3, DRD4, DRD2 HTR2C 104/4885HTR2B 91/4885HTR7 634/4885
US-10870660-B2 Nitrogen-containing condensed ring compounds having dopamine D3 antagonistic effect DRD3, DRD4, DRD2 HTR2C 104/4885HTR2B 91/4885HTR7 634/4885
US-20210009607-A1 NITROGEN-CONTAINING CONDENSED RING COMPOUNDS HAVING DOPAMINE D3 ANTAGONISTIC EFFECT DRD3, DRD4, DRD2 HTR2C 104/4885HTR2B 91/4885HTR7 634/4885
US-20190161501-A1 NITROGEN-CONTAINING CONDENSED RING COMPOUNDS HAVING DOPAMINE D3 ANTAGONISTIC EFFECT DRD3, DRD4, DRD2 HTR2C 104/4885HTR2B 91/4885HTR7 634/4885

“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.

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