SCHEMBL12909407

SCHEMBL12909407

OC1Cc2ccccc2C(=C2CCNCC2)c2ccsc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 10/20 1.00
▸ HRH4 Q9H3N8 6/20 1.00
▸ LMNA P02545 4/20 0.53
▸ JAK2 O60674 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ HTR2C P28335 4/20 0.40
▸ CHRM2 P08172 3/20 0.40
▸ ADRA2A P08913 3/20 0.40
▸ CHRM1 P11229 3/20 0.40
▸ ADRA2B P18089 3/20 0.40
▸ DRD1 P21728 3/20 0.40
▸ HTR2A P28223 3/20 0.40
▸ DRD3 P35462 3/20 0.40
▸ HTR3A P46098 3/20 0.40
▸ ADRA2C P18825 2/20 0.40
▸ CNR1 P21554 2/20 0.40
▸ ADRA1D P25100 2/20 0.40
▸ ADRA1A P35348 2/20 0.40
▸ OPRK1 P41145 2/20 0.40
▸ HTR2B P41595 2/20 0.40

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
SCHEMBL12909408 0.84 HRH1 (0.72) HRH1HRH4LMNAHTTHTR2C
SCHEMBL3042815 0.75 HRH1 (0.68) HRH1HRH4LMNAJAK2HTT
Bromide SCHEMBL11602086 0.74 HRH1 (0.66) HRH1HRH4LMNAJAK2HTT
SCHEMBL10846771 0.73 HRH1 (0.57) HRH1HRH4LMNAHTR2CCHRM2
SCHEMBL6178102 0.72 SETD7 (0.58) HRH1HRH4LMNAJAK2HTT
SCHEMBL31350956 0.72 SETD7 (0.58) HRH1HRH4LMNAJAK2HTT
SCHEMBL20381726 0.71 HRH1 (0.54) HRH1HRH4LMNAHTR2CCHRM2
SCHEMBL20978905 0.71 HRH1 (0.54) HRH1HRH4LMNAHTR2CCHRM2
SCHEMBL20381716 0.71 HRH1 (0.54) HRH1HRH4LMNAHTR2CCHRM2
Hydrochloric Acid SCHEMBL5729405 0.71 LMNA (0.84) HRH1HRH4LMNAJAK2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2727919-B1 BENZOCYCLOHEPTANETHIOPHENE DERIVATIVES FOR ANTI-ALLERGIC REACTIONS FUJIAN MINDONG REJUVENATION PHARMACEUTICAL CO LTD (CN) 2019-05-08 — — EP disclosed
US-10022362-B2 Anti-allergy benzocycloheptathiophene derivatives FUJIAN MINDONG REJUVENATION PHARMACEUTICAL CO., LTD (CN) 2018-07-17 — — US disclosed
US-7872025-B2 Optically active isomers of ketotifen and therapeutically active metabolites thereof BRIDGE PHARMA, INC. (US) 2011-01-18 — — US disclosed
US-7872025-B2 Optically active isomers of ketotifen and therapeutically active metabolites thereof BRIDGE PHARMA, INC. (US) 2011-01-18 — — US disclosed
US-7557128-B2 Optically active isomers of ketotifen and therapeutically active metabolites thereof BRIDGE PHARMA, INC. (US) 2009-07-07 — — US disclosed
US-7557128-B2 Optically active isomers of ketotifen and therapeutically active metabolites thereof BRIDGE PHARMA, INC. (US) 2009-07-07 — — US disclosed
US-20090149502-A1 Optically active isomers of ketotifen and therapeutically active metabolites thereof ABERG A K GUNNAR 2009-06-11 — — US disclosed
US-20090149502-A1 Optically active isomers of ketotifen and therapeutically active metabolites thereof ABERG A K GUNNAR 2009-06-11 — — US disclosed
US-20080287498-A1 Having antiallergic and anti-inflammatory effects while being devoid of the severe dose-limiting sedative side effects of ketotifen ABERG A K GUNNAR 2008-11-20 — — US disclosed
US-20080287498-A1 Having antiallergic and anti-inflammatory effects while being devoid of the severe dose-limiting sedative side effects of ketotifen ABERG A K GUNNAR 2008-11-20 — — US disclosed
US-7226934-B1 Optically active isomers of ketotifen and therapeutically active metabolites thereof BRIDGE PHARMA, INC. (US) 2007-06-05 — — US disclosed
US-7226934-B1 Optically active isomers of ketotifen and therapeutically active metabolites thereof BRIDGE PHARMA, INC. (US) 2007-06-05 — — 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-20080287498-A1 Having antiallergic and anti-inflammatory effects while being devoid of the severe dose-limiting sedative side effects of ketotifen OPRK1, HRH2, HRH1 HRH1 3/4885HRH4 10/4885LMNA 4194/4885
US-20090149502-A1 Optically active isomers of ketotifen and therapeutically active metabolites thereof OPRK1, HRH1, HRH2 HRH1 2/4885HRH4 7/4885LMNA 4200/4885
US-10022362-B2 Anti-allergy benzocycloheptathiophene derivatives NR1H4, TST, CYP7A1 HRH1 14/4885HRH4 11/4885LMNA 4843/4885

“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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