SCHEMBL14474694

SCHEMBL14474694

Cc1cncc(CN2CCC(=C3c4ccccc4C=C(Br)c4sccc43)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 8/20 0.43
▸ PTAFR P25105 1/20 0.43
▸ SETD7 Q8WTS6 3/20 0.37
▸ DRD3 P35462 6/20 0.37
▸ DRD2 P14416 4/20 0.37
▸ CHRM2 P08172 4/20 0.36
▸ ADRA2A P08913 4/20 0.36
▸ CHRM1 P11229 4/20 0.36
▸ ADRA2B P18089 4/20 0.36
▸ DRD1 P21728 4/20 0.36
▸ HTR2A P28223 4/20 0.36
▸ HTR2C P28335 4/20 0.36
▸ LMNA P02545 4/20 0.36
▸ HTR3A P46098 3/20 0.36
▸ ADRA2C P18825 3/20 0.36
▸ ADRA1D P25100 3/20 0.36
▸ ADRA1A P35348 3/20 0.36
▸ HTR2B P41595 3/20 0.36
▸ KCNH2 Q12809 3/20 0.36
▸ CHRM4 P08173 3/20 0.36

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
SCHEMBL14474692 0.86 HRH1 (0.43) HRH1PTAFRSETD7DRD3DRD2
SCHEMBL14473932 0.80 HRH1 (0.62) HRH1PTAFRDRD3DRD2CHRM2
SCHEMBL20978787 0.74 HRH1 (0.53) HRH1PTAFRDRD3DRD2CHRM2
SCHEMBL20978776 0.73 HRH1 (0.47) HRH1PTAFRDRD3DRD2CHRM2
SCHEMBL14474691 0.72 L3MBTL1 (0.35) CHRM4
SCHEMBL20978944 0.72 HRH1 (0.45) HRH1PTAFRDRD3DRD2CHRM2
SCHEMBL11486348 0.67 DRD3 (0.59) HRH1SETD7DRD3DRD2CHRM2
SCHEMBL9035699 0.67 SETD7 (0.60) HRH1SETD7DRD3DRD2CHRM2
SCHEMBL9036519 0.66 SETD7 (0.67) HRH1SETD7DRD3DRD2CHRM2
Hydrochloric Acid SCHEMBL7212390 0.66 SETD7 (0.59) HRH1SETD7DRD3DRD2CHRM2

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 10 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-20160166563-A1 Anti-Allergy Benzocycloheptathiophene Derivatives FUJIAN MINDONG REJUVENATION PHARMACEUTICAL CO., LTD (CN) 2016-06-16 — — US disclosed
US-20160166563-A1 Anti-Allergy Benzocycloheptathiophene Derivatives FUJIAN MINDONG REJUVENATION PHARMACEUTICAL CO., LTD (CN) 2016-06-16 — — US disclosed
US-9296731-B2 Anti-allergy benzocycloheptathiophene derivatives FUJIAN MINDONG REJUVENATION PHARMACEUTICAL CO., LTD. (CN) 2016-03-29 — — US disclosed
US-9296731-B2 Anti-allergy benzocycloheptathiophene derivatives FUJIAN MINDONG REJUVENATION PHARMACEUTICAL CO., LTD. (CN) 2016-03-29 — — US disclosed
US-20140135361-A1 ANTI-ALLERGY BENZOCYCLOHEPTATHIOPHENE DERIVATIVES FUJIAN MINDONG REJUVENATION PHARMACEUTICAL CO., LTD. (CN) 2014-05-15 — — US disclosed
US-20140135361-A1 ANTI-ALLERGY BENZOCYCLOHEPTATHIOPHENE DERIVATIVES FUJIAN MINDONG REJUVENATION PHARMACEUTICAL CO., LTD. (CN) 2014-05-15 — — US disclosed
EP-2727919-A1 BENZOCYCLOHEPTANETHIOPHENE DERIVATIVES FOR ANTI-ALLERGIC REACTIONS Fujian Mindong Rejuvenation Pharmaceutical Co., Ltd. (CN) 2014-05-07 — — EP disclosed
WO-2013000406-A1 BENZOCYCLOHEPTANETHIOPHENE DERIVATIVES FOR ANTI-ALLERGIC REACTIONS LIN TONGJUN (CN) 2013-01-03 — — 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 (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-20160166563-A1 Anti-Allergy Benzocycloheptathiophene Derivatives NR1H4, TST, CYP7A1 HRH1 14/4885PTAFR 1811/4885SETD7 1916/4885
US-20140135361-A1 ANTI-ALLERGY BENZOCYCLOHEPTATHIOPHENE DERIVATIVES TST, HRH1, ABCB11 HRH1 2/4885PTAFR 1472/4885SETD7 2553/4885
US-10022362-B2 Anti-allergy benzocycloheptathiophene derivatives NR1H4, TST, CYP7A1 HRH1 14/4885PTAFR 1811/4885SETD7 1916/4885

“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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