SCHEMBL3706795

SCHEMBL3706795

CN1CCC(N(Cc2ccc(F)cc2)Cc2cc(-c3ccc4[nH]nnc4c3)ccc2F)CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.38
▸ CHIT1 Q13231 1/20 0.38
▸ CHIA Q9BZP6 1/20 0.38
▸ HTR2A P28223 14/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ CHEK1 O14757 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ HTR2C P28335 1/20 0.34

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 SCHEMBL3696597 0.99 KCNH2 (0.37) KCNH2CHIT1CHIAHTR2ADYRK1A
SCHEMBL3696766 0.88 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3
SCHEMBL3694277 0.83 GRIN2B (0.44) KCNH2CHIT1CHIA
SCHEMBL3693865 0.82 HTR2A (0.41) HTR2ADYRK1A
SCHEMBL3696684 0.81 SLC6A2 (0.46) KCNH2CHIT1CHIAHTR2ASLC6A2
SCHEMBL3696661 0.78 GRIN2D (0.44) KCNH2HTR2A
SCHEMBL3698706 0.76 MPO (0.44) CHEK1
SCHEMBL3698597 0.76 HSP90AA1 (0.40) PARP1
Hydrochloric Acid SCHEMBL3695093 0.75 TACR1 (0.31) KCNH2CHIT1CHIA
SCHEMBL27731711 0.74 HTR2A (0.37) HTR2APARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1851199-B1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMA INC (US) 2012-05-16 — — EP claimed
CN-101115717-A Substituted bis aryl and heteroaryl compounds as selective 5ht2a antagonists AVENTIS PHARMA INC (US) 2008-01-30 — — CN claimed
EP-1851199-B1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMA INC (US) 2012-05-16 — — EP disclosed
US-7625889-B2 Substituted bis aryl and heteroaryl compounds as selective 5HT2A antagonists AVENTIS PHARMACEUTICALS INC. (US) 2009-12-01 — — US disclosed
US-7625889-B2 Substituted bis aryl and heteroaryl compounds as selective 5HT2A antagonists AVENTIS PHARMACEUTICALS INC. (US) 2009-12-01 — — US disclosed
CN-101242819-A Hypnotics and combinations of substituted biaryl and heteroaryl compounds and therapeutic uses thereof AVENTIS PHARMA INC (US) 2008-08-13 — — CN disclosed
CN-101115717-A Substituted bis aryl and heteroaryl compounds as selective 5ht2a antagonists AVENTIS PHARMA INC (US) 2008-01-30 — — CN disclosed
US-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 — — US disclosed
US-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 — — 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 (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-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS HTR2A, HTR2B, HTR2C KCNH2 410/4885CHIT1 3310/4885CHIA 1274/4885

“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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