SCHEMBL959986

SCHEMBL959986

COc1ccc2c(c1)[nH]c(=O)n2CCN1CCN(c2ccc(OC)c(C(F)(F)F)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.52
▸ ADRA2A P08913 2/20 0.52
▸ DRD3 P35462 2/20 0.52
▸ ABCB11 O95342 1/20 0.52
▸ ADORA3 P0DMS8 1/20 0.52
▸ CHRM1 P11229 1/20 0.52
▸ DRD1 P21728 1/20 0.52
▸ TBXA2R P21731 1/20 0.52
▸ SLC6A4 P31645 1/20 0.52
▸ ADRA1A P35348 1/20 0.52
▸ OPRM1 P35372 1/20 0.52
▸ KCNH2 Q12809 1/20 0.52
▸ HTR7 P34969 7/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ DRD2 P14416 2/20 0.44
▸ MAPT P10636 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL7552048 0.89 HTR1A (0.67) HTR1AADRA2ADRD3ABCB11ADORA3
SCHEMBL6606413 0.84 HTR1A (0.74) HTR1AADRA2ADRD3ABCB11ADORA3
SCHEMBL12918757 0.77 HTR1A (0.49) HTR1AADRA2ADRD3ABCB11ADORA3
SCHEMBL7587470 0.77 HTR1A (0.74) HTR1AADRA2ADRD3ABCB11ADORA3
SCHEMBL12918755 0.77 HTR1A (0.62) HTR1AADRA2ADRD3ABCB11ADORA3
SCHEMBL12715437 0.76 HTR1A (0.70) HTR1AADRA2ADRD3ABCB11ADORA3
SCHEMBL7552468 0.75 HTR1A (0.74) HTR1AADRA2ADRD3ABCB11ADORA3
SCHEMBL7552254 0.74 HTR1A (0.70) HTR1AADRA2ADRD3ABCB11ADORA3
SCHEMBL12918754 0.73 HTR1A (0.69) HTR1AADRA2ADRD3ABCB11ADORA3
SCHEMBL1003520 0.72 HTR7 (0.73) HTR1AADRA2ADRD3ABCB11ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150368204-A1 Sulfated Benzimidazolone Derivatives Having Mixed Serotonine Receptor Affinity Salix Pharmaceuticals, Ltd 2015-12-24 — — US disclosed
US-20150011564-A1 Sulfated Benzimidazolone Derivatives Having Mixed Serotonine Receptor Affinity SPROUT PHARMACEUTICALS, INC. (US) 2015-01-08 — — US disclosed
US-8722682-B2 Sulfated benzimidazolone derivatives having mixed serotonin receptor affinity SPROUT PHARMACEUTICALS, INC. (US) 2014-05-13 — — US disclosed
EP-2097389-B1 SULFATED BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE RECEPTOR AFFINITY BOEHRINGER INGELHEIM INT (DE) 2011-09-14 — — EP disclosed
US-20110015207-A1 SULFATED BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE RECEPTOR AFFINITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-20 — — 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150011564-A1 Sulfated Benzimidazolone Derivatives Having Mixed Serotonine Receptor Affinity HTR3B, HTR3A, HTR1E HTR1A 4/4885ADRA2A 292/4885DRD3 76/4885
US-20150368204-A1 Sulfated Benzimidazolone Derivatives Having Mixed Serotonine Receptor Affinity HTR3B, HTR3A, HTR1E HTR1A 4/4885ADRA2A 288/4885DRD3 70/4885
US-20110015207-A1 SULFATED BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE RECEPTOR AFFINITY HTR3A, HTR3B, NPSR1 HTR1A 7/4885ADRA2A 192/4885DRD3 65/4885

“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.

Send feedback