SCHEMBL7556184

SCHEMBL7556184

COc1ccc(N2CCNCC2)cc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 3/20 0.55
▸ ADRB1 P08588 6/20 0.51
▸ HTR3E A5X5Y0 4/20 0.51
▸ HTR3B O95264 4/20 0.51
▸ HTR3A P46098 4/20 0.51
▸ HTR3D Q70Z44 4/20 0.51
▸ HTR3C Q8WXA8 4/20 0.51
▸ SIGMAR1 Q99720 3/20 0.51
▸ HTR1A P08908 2/20 0.51
▸ HTR7 P34969 2/20 0.51
▸ HTR1D P28221 2/20 0.50
▸ HTR1B P28222 1/20 0.50
▸ ACVR1 Q04771 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ HTR2C P28335 1/20 0.50
▸ MAPT P10636 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ HTR6 P50406 2/20 0.47
▸ CHRNB2 P17787 1/20 0.46
▸ CHRNA4 P43681 1/20 0.46

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
Hydrochloric Acid SCHEMBL960429 0.99 ALK (0.54) ALKADRB1HTR3EHTR3BHTR3A
SCHEMBL22601531 0.87 ADRB1 (0.53) ALKADRB1HTR3EHTR3BHTR3A
SCHEMBL27945631 0.85 ALDH1A1 (0.50) ALDH1A1HTR2CMAPTCYP2C19
SCHEMBL14922743 0.84 CHRNB2 (0.48) ALKADRB1HTR3EHTR3BHTR3A
SCHEMBL11177028 0.81 HTR3E (0.58) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL361649 0.81 ADRB1 (0.61) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL11627069 0.80 ADRB1 (0.65) ALKADRB1HTR3EHTR3BHTR3A
SCHEMBL2766132 0.80 ADRB1 (0.56) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL2156292 0.80 ADRB1 (0.59) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL7711565 0.80 ADRB1 (0.59) ADRB1HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 — — US disclosed
US-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 — — US disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 — — US disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 — — US disclosed
EP-1218352-A1 BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE AND DOPAMINE RECEPTORS AFFINITY BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) 2002-07-03 — — EP disclosed
US-6281218-B1 USEFUL IN THE TREATMENT OF CNS DISORDERS. INGELHEIM ITALIA S.P.A. (IT) 2001-08-28 — — US disclosed
WO-2001021593-A1 NEW BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE AND DOPAMINE RECEPTORS AFFINITY BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) 2001-03-29 — — 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 (1 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-20070173537-A1 Indazole compound and pharmaceutical use thereof CYP3A5, CYP3A43, TP53 ALK 1161/4885ADRB1 1885/4885HTR3E 1008/4885

“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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