SCHEMBL960296

SCHEMBL960296

COc1ccc(NCCN2CCN(c3ccc(OC)c(C(F)(F)F)c3)CC2)c(N)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ GFER P55789 2/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ HTR1A P08908 3/20 0.40
▸ HTR6 P50406 2/20 0.40
▸ HTR7 P34969 2/20 0.40
▸ DRD2 P14416 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ ALK Q9UM73 2/20 0.40
▸ USP2 O75604 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ADORA2B P29275 1/20 0.39
▸ HTR4 Q13639 1/20 0.39

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
SCHEMBL6608556 0.83 HTR1A (0.58) MEN1KMT2AHTR1AHTR6HTR7
SCHEMBL959986 0.71 HTR1A (0.52) MEN1KMT2AHTR1AHTR7DRD2
SCHEMBL7550023 0.71 TSHR (0.57) HTR1AHTR6HTR7DRD2HSD17B10
SCHEMBL962507 0.70 ALDH1A1 (0.61) MEN1KMT2AUSP2MAPTTSHR
SCHEMBL27945631 0.69 ALDH1A1 (0.50) MEN1KMT2AHSD17B10HTR2AHTR2C
SCHEMBL7606628 0.67 HTR1A (0.58) KMT2ADRD4HTR1ADRD2USP2
SCHEMBL21669330 0.67 SIGMAR1 (0.59) HTR1AHTR6HTR7DRD2HTR2A
SCHEMBL7556184 0.67 ALK (0.55) HTR1AHTR6HTR7DRD2HTR2C
SCHEMBL11455011 0.66 DRD4 (0.58) GFERDRD4HTR1AHTR7DRD2
SCHEMBL14160106 0.66 KDM4E (0.50) MEN1KMT2ADRD4HTR7DRD2

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 MEN1 821/4885KMT2A 3350/4885GFER 2193/4885
US-20150368204-A1 Sulfated Benzimidazolone Derivatives Having Mixed Serotonine Receptor Affinity HTR3B, HTR3A, HTR1E MEN1 884/4885KMT2A 3363/4885GFER 2249/4885
US-20110015207-A1 SULFATED BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE RECEPTOR AFFINITY HTR3A, HTR3B, NPSR1 MEN1 922/4885KMT2A 3717/4885GFER 2310/4885

“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.

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