SCHEMBL2467734

SCHEMBL2467734

Cc1cc2c3cc(C(F)(F)F)ccc3nc(N3CCN(C)CC3)n2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 2/20 0.44
▸ HTR3E A5X5Y0 2/20 0.43
▸ HTR3B O95264 2/20 0.43
▸ HTR3A P46098 2/20 0.43
▸ HTR3D Q70Z44 2/20 0.43
▸ HTR3C Q8WXA8 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ HTR1D P28221 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ THPO P40225 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ACVR1 Q04771 1/20 0.43

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
SCHEMBL2533944 0.88 SOS1 (0.49) ADRB2HTR3EHTR3BHTR3AHTR3D
SCHEMBL12225267 0.84 HRH4 (0.51) ADRB2HTR3EHTR3BHTR3AHTR3D
SCHEMBL440877 0.83 HRH4 (0.50) ADRB2HTR3EHTR3BHTR3AHTR3D
SCHEMBL2464297 0.82 HTT (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2465345 0.82 HRH4 (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2462568 0.82 HTR3E (0.43) ADRB2HTR3EHTR3BHTR3AHTR3D
SCHEMBL442228 0.81 DGAT1 (0.45) ADRB2HTR3EHTR3BHTR3AHTR3D
SCHEMBL2467903 0.80 HTR3E (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL12225266 0.80 HTR3A (0.43) ADRB2HTR3EHTR3BHTR3AHTR3D
SCHEMBL13334488 0.78 KCNH2 (0.43) ADRB2HTR3EHTR3BHTR3AHTR3D

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-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 — — US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 — — US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 — — US disclosed
WO-2011112731-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 — — WO disclosed
WO-2011112731-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 — — 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-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 ADRB2 571/4885HTR3E 71/4885HTR3B 113/4885

“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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