SCHEMBL10052275

SCHEMBL10052275

CCc1nc[nH]c1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
GABRR1 P24046 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL8528677 0.83 L3MBTL1 (0.35) HRH2HRH1HRH4HRH3TDP1
SCHEMBL11329931 0.81 GABRR1 (0.36) HRH2HRH1HRH4HRH3TDP1
SCHEMBL11319237 0.81 HRH2 (0.34) HRH2HRH1HRH4HRH3TDP1
SCHEMBL11530311 0.79
SCHEMBL8528671 0.76 L3MBTL1 (0.33) HRH2HRH1HRH4HRH3TDP1
SCHEMBL23393724 0.71 HRH2 (0.33) HRH2HRH1HRH4HRH3TDP1
SCHEMBL27785542 0.70
SCHEMBL9967679 0.70
SCHEMBL4546365 0.70
SCHEMBL7857005 0.70

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
WO-2024126777-A1 HETEROAROMATIC COMPOUNDS ASTRAZENECA AB (SE) 2024-06-20 WO disclosed
US-20230174565-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. 2023-06-08 US disclosed
US-20230023761-A1 SUBSTITUTED PYRIDINES AS TYK2 INHIBITORS ALUMIS INC. 2023-01-26 US disclosed
US-20220169634-A1 AROMATIC DERIVATIVES, PREPARATION METHODS, AND MEDICAL USES THEREOF BIOARDIS LLC 2022-06-02 US disclosed
US-11345716-B2 Nitrogen-containing condensed ring compounds having dopamine D3 antagonistic effect SHIONOGI & CO., LTD. (JP) 2022-05-31 US disclosed
WO-2021113849-A1 HER2+ CANCER TREATMENT WITH POPULATIONS OF NATURAL KILLER CELLS COMPRISING A CLEAVAGE RESISTANT CD16 CELULARITY INC. (US) 2021-06-10 WO 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
US-9598411-B2 Substituted benzimidazole-type piperidine compounds and uses thereof PURDUE PHARMA L.P. (US) 2017-03-21 US disclosed
US-20120157461-A1 Indolyl-Substituted Pyrazino-Quinolines and Their Use for the Treatment of Cancer ONKILL AB (SE) 2012-06-21 US disclosed
WO-2008136815-A2 5, 6-RING ANNULATED INDOLE DERIVATIVES AND USE THEREOF SCHERING CORPORATION (US) 2008-11-13 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 (8 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 HRH2 301/4885HRH1 388/4885HRH4 46/4885
US-10870660-B2 Nitrogen-containing condensed ring compounds having dopamine D3 antagonistic effect DRD3, DRD4, DRD2 HRH2 301/4885HRH1 388/4885HRH4 46/4885
US-20230023761-A1 SUBSTITUTED PYRIDINES AS TYK2 INHIBITORS TYK2, JAK1, PDXK HRH2 2457/4885HRH1 1976/4885HRH4 1678/4885
US-20220169634-A1 AROMATIC DERIVATIVES, PREPARATION METHODS, AND MEDICAL USES THEREOF FGFR4, FGFR3, FGFR1 HRH2 601/4885HRH1 684/4885HRH4 139/4885
US-20210009607-A1 NITROGEN-CONTAINING CONDENSED RING COMPOUNDS HAVING DOPAMINE D3 ANTAGONISTIC EFFECT DRD3, DRD4, DRD2 HRH2 301/4885HRH1 388/4885HRH4 46/4885
US-20120157461-A1 Indolyl-Substituted Pyrazino-Quinolines and Their Use for the Treatment of Cancer TPD52L2, FLT4, FLT1 HRH2 748/4885HRH1 798/4885HRH4 305/4885
US-20190161501-A1 NITROGEN-CONTAINING CONDENSED RING COMPOUNDS HAVING DOPAMINE D3 ANTAGONISTIC EFFECT DRD3, DRD4, DRD2 HRH2 301/4885HRH1 388/4885HRH4 46/4885
US-20230174565-A1 HETEROCYCLIC GLP-1 AGONISTS GLP1R, GIPR, GCGR HRH2 427/4885HRH1 508/4885HRH4 849/4885

“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.