SCHEMBL3694876

SCHEMBL3694876

CN(C)CCN(Cc1ccccc1)Cc1cccc(-c2ccc3[nH]c(=O)sc3c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 2/20 0.49
▸ CALM1 P0DP23 1/20 0.46
▸ CAMKK2 Q96RR4 1/20 0.46
▸ PDE3B Q13370 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ BCHE P06276 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ GRIN2D O15399 2/20 0.37
▸ GRIN3B O60391 2/20 0.37
▸ GRIN1 Q05586 2/20 0.37
▸ GRIN2A Q12879 2/20 0.37
▸ GRIN2B Q13224 2/20 0.37

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 SCHEMBL3693011 0.99 PGR (0.48) PGRCALM1CAMKK2PDE3BPDE3A
SCHEMBL3705189 0.84 ROCK2 (0.46) PGRPDE3BPDE3AMEN1KMT2A
Hydrochloric Acid SCHEMBL3699928 0.83 ROCK2 (0.46) PGRPDE3BPDE3AMEN1KMT2A
SCHEMBL3702044 0.83 CALM1 (0.49) CALM1CAMKK2PDE3BPDE3ATP53
Hydrochloric Acid SCHEMBL3702757 0.82 CALM1 (0.48) CALM1CAMKK2PDE3BPDE3ATP53
SCHEMBL3691947 0.81 ROCK2 (0.45) PGRMEN1KMT2AKDM4EAOC3
Hydrochloric Acid SCHEMBL3707748 0.80 ROCK2 (0.44) PGRMEN1KMT2AKDM4EAOC3
SCHEMBL3700833 0.79 MEN1 (0.50) CALM1CAMKK2PDE3BPDE3ATP53
Hydrochloric Acid SCHEMBL3694951 0.78 MEN1 (0.49) CALM1CAMKK2PDE3BPDE3ATP53
SCHEMBL3700814 0.78 PGR (0.50) PGRPDE3BPDE3AAOC3

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 6 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
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
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 PGR 658/4885CALM1 4782/4885CAMKK2 3603/4885

“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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