SCHEMBL419457

SCHEMBL419457

NC1Cc2ccc(Br)cc2C1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA12 O43570 2/20 0.50
CA7 P43166 2/20 0.50
CA14 Q9ULX7 2/20 0.50
PNMT P11086 9/20 0.48
ADRA2A P08913 4/20 0.48
ADRA2B P18089 3/20 0.48
ADRA2C P18825 3/20 0.48
FYN P06241 1/20 0.48
KDM1A O60341 3/20 0.47

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
SCHEMBL419456 1.00 CA1 (0.50) CA1CA2CA12CA7CA14
SCHEMBL615229 1.00 CA1 (0.50) CA1CA2CA12CA7CA14
Bromide SCHEMBL584993 0.98 CA1 (0.48) CA1CA2CA12CA7CA14
Hydrochloric Acid SCHEMBL22092770 0.98 CA1 (0.52) CA1CA2CA12CA7CA14
Hydrochloric Acid SCHEMBL30986203 0.98 CA1 (0.52) CA1CA2CA12CA7CA14
Bromide SCHEMBL30615657 0.98 CA1 (0.48) CA1CA2CA12CA7CA14
Hydrochloric Acid SCHEMBL5758866 0.98 CA1 (0.52) CA1CA2CA12CA7CA14
SCHEMBL354978 0.84 OPRK1 (0.62)
SCHEMBL3020673 0.84 OPRK1 (0.62)
SCHEMBL354979 0.84 OPRK1 (0.62)

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 151 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254876-A1 COMPOUND (R) -N*6*-ETHYL-6, 7-DIHYDRO-5H-INDENO (5, 6- D) THIAZOLE-2, 6-DIAMINE AND THE USE AS ANTIPSYCHOTICS AstraZeneca AB (SE) 2010-12-01 EP claimed
WO-2009105026-A1 COMPOUND (R) -N*6*-ETHYL-6, 7-DIHYDRO-5H-INDENO (5, 6- D) THIAZOLE-2, 6-DIAMINE AND THE USE AS ANTIPSYCHOTICS ASTRAZENECA AB (SE) 2009-08-27 WO claimed
US-20090215841-A1 D2 Receptor Ligand-078 ASTRAZENECA AB (SE) 2009-08-27 US claimed
US-6197798-B1 INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN NOVARTIS AG (CH) 2001-03-06 US claimed
US-20250388571-A1 AMP-ACTIVATED PROTEIN KINASE MODULATOR COMPOUNDS AND USES THEREOF BIOLEXIS THERAPEUTICS INC (US) 2025-12-25 US disclosed
EP-4559911-A1 NOVEL HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION FOR INHIBITING AUTOTAXIN COMPRISING THE SAME Nextgen Bioscience Co., Ltd. (KR) 2025-05-28 EP disclosed
CN-119585265-A Novel heterocyclic compound and pharmaceutical composition for inhibiting autotaxin comprising same 株式会社次代生物科学 2025-03-07 CN disclosed
US-12145929-B2 Piperidine derivative and pharmaceutical composition for inhibiting autotaxin comprising same NEXTGEN BIOSCIENCE CO., LTD. (KR) 2024-11-19 US disclosed
US-20240279216-A1 NOVEL PIPERIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION FOR INHIBITING AUTOTAXIN COMPRISING SAME NEXTGEN BIOSCIENCE CO., LTD. (KR) 2024-08-22 US disclosed
EP-4353720-A1 NOVEL PIPERIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION FOR INHIBITING AUTOTAXIN COMPRISING SAME Nextgen Bioscience Co., Ltd. (KR) 2024-04-17 EP disclosed
WO-2024019597-A1 NOVEL HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION FOR INHIBITING AUTOTAXIN COMPRISING THE SAME 주식회사 넥스트젠바이오사이언스 2024-01-25 WO disclosed
CN-117396471-A Novel piperidine derivatives and pharmaceutical compositions for inhibiting autotaxin comprising the same 株式会社次代生物科学 2024-01-12 CN disclosed
EP-0807101-B1 2-AMINOINDANS AS SELECTIVE DOPAMINE D3 LIGANDS UPJOHN CO (US) 2001-06-13 EP disclosed
US-6197798-B1 INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN NOVARTIS AG (CH) 2001-03-06 US disclosed
WO-2001005767-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2001-01-25 WO disclosed
US-5936000-A 2-aminoindans as selective dopamine D3 ligands PHARMACIA & UPJOHN COMPANY (US) 1999-08-10 US disclosed
CN-1172469-A 2 -aminoindans as selective dopamine D3 ligands UPJOHN CO (US) 1998-02-04 CN disclosed
EP-0807101-A1 2-AMINOINDANS AS SELECTIVE DOPAMINE D3 LIGANDS PHARMACIA & UPJOHN COMPANY (US) 1997-11-19 EP disclosed
WO-1996023760-A1 2-AMINOINDANS AS SELECTIVE DOPAMINE D3 LIGANDS PHARMACIA & UPJOHN COMPANY (US) 1996-08-08 WO disclosed
US-4192888-A Pharmaceutical compositions and method of inhibiting phenylethanolamine N-methyltransferase SMITHKLINE CORPORATION (US) 1980-03-11 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-20240279216-A1 NOVEL PIPERIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION FOR INHIBITING AUTOTAXIN COMPRISING SAME ENPP2, UACA, ITCH CA1 1578/4885CA2 915/4885CA12 2655/4885
US-20090215841-A1 D2 Receptor Ligand-078 TACR2, TACR1, GPR174 CA1 2762/4885CA2 2828/4885CA12 3033/4885
US-20250388571-A1 AMP-ACTIVATED PROTEIN KINASE MODULATOR COMPOUNDS AND USES THEREOF PRKAB2, PRKAB1, PRKAR2B CA1 3591/4885CA2 752/4885CA12 4283/4885
US-12145929-B2 Piperidine derivative and pharmaceutical composition for inhibiting autotaxin comprising same ENPP2, UACA, ACAT2 CA1 1296/4885CA2 924/4885CA12 2494/4885

“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.