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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 19/20 | 0.69 |
| ▸ | OGFRL1 | Q5TC84 | 11/20 | 0.69 |
| ▸ | OPRL1 | P41146 | 9/20 | 0.58 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL517329 | 0.96 | OPRM1 (0.75) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| SCHEMBL10038870 | 0.96 | OPRM1 (0.75) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| SCHEMBL517328 | 0.96 | OPRM1 (0.75) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| SCHEMBL517942 | 0.90 | OPRM1 (0.66) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| SCHEMBL10038863 | 0.90 | OPRM1 (0.66) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| SCHEMBL517208 | 0.90 | OPRM1 (0.66) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| SCHEMBL19535595 | 0.90 | OPRM1 (0.66) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| Grt-6010 SCHEMBL517442 | 0.88 | OPRM1 (0.63) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| Grt-6010 SCHEMBL518255 | 0.88 | OPRM1 (0.63) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| Grt-6010 SCHEMBL10038872 | 0.88 | OPRM1 (0.63) | OPRM1OGFRL1OPRL1OPRD1OPRK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170313703-A1 | Cis-tetrahydro-spiro(cyclohexane-1,1?-pyrido[3,4-b]indole)-4-amine Compounds | GRUENENTHAL GMBH (DE) | 2017-11-02 | — | — | US | disclosed |
| US-20160159787-A1 | Cis-tetrahydro-spiro(cyclohexane-1, 1' -pyrido[3,4-b]indole)-4-amine Compounds | GRUENENTHAL GMBH (DE) | 2016-06-09 | — | — | US | disclosed |
| US-20120029006-A1 | Cis-tetrahydro-spiro(cyclohexane-1,1'-pyrido[3,4-b]indole)-4-amine Compounds | GRUENENTHAL GMBH (DE) | 2012-02-02 | — | — | 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20170313703-A1 | Cis-tetrahydro-spiro(cyclohexane-1,1?-pyrido[3,4-b]indole)-4-amine Compounds | OPRL1, OPRK1, OPRM1 | OPRM1 3/4885OGFRL1 5/4885OPRL1 1/4885 |
| US-20160159787-A1 | Cis-tetrahydro-spiro(cyclohexane-1, 1' -pyrido[3,4-b]indole)-4-amine Compounds | OPRL1, OPRK1, OPRM1 | OPRM1 3/4885OGFRL1 5/4885OPRL1 1/4885 |
| US-20120029006-A1 | Cis-tetrahydro-spiro(cyclohexane-1,1'-pyrido[3,4-b]indole)-4-amine Compounds | OPRL1, OPRK1, OPRM1 | OPRM1 3/4885OGFRL1 5/4885OPRL1 1/4885 |
“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.