Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.49 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.49 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CASP6 | P55212 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6768941 | 0.92 | SIGMAR1 (0.55) | KDM4ETAAR1CHRM2CHRM4CHRM1 | |
| Hydrochloric Acid SCHEMBL6929672 | 0.84 | CHRM2 (0.58) | KDM4ETAAR1CHRM2CHRM4CHRM1 | |
| SCHEMBL6769733 | 0.83 | ALDH1A1 (0.47) | KDM4ESIGMAR1ALDH1A1MAPTHSD17B10 | |
| SCHEMBL7103078 | 0.80 | ALDH1A1 (0.53) | KDM4ESIGMAR1ALDH1A1MAPTHSD17B10 | |
| SCHEMBL6769989 | 0.79 | SIGMAR1 (0.59) | SIGMAR1ALDH1A1MAPTUSP2NOTUM | |
| SCHEMBL7100770 | 0.79 | SIGMAR1 (0.49) | SIGMAR1ALDH1A1MAPTUSP2NOTUM | |
| Hydrochloric Acid SCHEMBL6768735 | 0.79 | ALDH1A1 (0.52) | KDM4ESIGMAR1ALDH1A1MAPTHSD17B10 | |
| SCHEMBL6774845 | 0.79 | NPC1 (0.52) | SIGMAR1ALDH1A1MAPTUSP2NOTUM | |
| SCHEMBL8440692 | 0.79 | MAPT (0.74) | TAAR1SIGMAR1ALDH1A1MAPTUSP2 | |
| Hydrochloric Acid SCHEMBL6768842 | 0.78 | SIGMAR1 (0.58) | SIGMAR1ALDH1A1MAPTUSP2NOTUM |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6770668-B2 | INDOLINYL, 1,2,3,4-TETRAHYDROQUINOLINYL, 1,2,3,4-TETRAHYDRO ISOQUINOLINYL, BENZ(CD)INDOLINYL AND 5,6-DIHYDROPHEN ANTHRIDINYL COMPOUNDS; TREATING NEURODEGENERATIVE DISORDERS | WYETH | 2004-08-03 | — | — | US | disclosed |
| US-20030153763-A1 | Pharmaceutically active compounds and methods of use | WYETH | 2003-08-14 | — | — | US | disclosed |
| US-6514990-B2 | Fused N-heterocylic rings substituted at the ring nitrogen with group of formula (R-N(-R1)-C(=NH)-); treating a neurodegenerative disease; N-(m-ethylphenyl)-1-indolinylcarboximidamide, for example | SCION PHARMACEUTICALS, INC. | 2003-02-04 | — | — | US | disclosed |
| US-20020099084-A1 | Pharmaceutically active compounds and methods of use | WYETH | 2002-07-25 | — | — | US | disclosed |
| US-6025355-A | SUBSTITUTED INDOLINYL AND DERIVATIVES THEREOF, NEUROLOGICAL INJURY AND NEURODEGENERATIVE DISORDERS. | CAMBRIDGE NEUROSCIENCE, INC. (US) | 2000-02-15 | — | — | US | disclosed |
| EP-0925300-A1 | PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE | CAMBRIDGE NEUROSCIENCE, INC. (US) | 1999-06-30 | — | — | EP | disclosed |
| EP-0925300-A4 | — | — | 1999-06-30 | — | — | EP | disclosed |
| WO-1997030054-A1 | PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE | CAMBRIDGE NEUROSCIENCE, INC. (US) | 1997-08-21 | — | — | 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 (2 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030153763-A1 | Pharmaceutically active compounds and methods of use | ACHE, PARK7, NLN | CHRM1 501/4885KDM4E 2209/4885TAAR1 4698/4885 |
| US-20020099084-A1 | Pharmaceutically active compounds and methods of use | ACHE, PARK7, NLN | CHRM1 501/4885KDM4E 2209/4885TAAR1 4698/4885 |
“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.