SCHEMBL4309899

SCHEMBL4309899

CCCN1CCN(c2ccc3[nH]ccc3c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.53
DRD2 P14416 8/20 0.51
DRD3 P35462 2/20 0.51
SIGMAR1 Q99720 1/20 0.50
LTA4H P09960 1/20 0.46
DRD4 P21917 1/20 0.45
KDM4E B2RXH2 1/20 0.43
GAA P10253 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
SCHEMBL949366 0.83 HTR3A (0.56) HTR7KDM4EGAA
SCHEMBL5751064 0.80 FAAH (0.54) HTR7DRD2DRD3SIGMAR1DRD4
SCHEMBL15758290 0.78 HTR7 (0.47) HTR7DRD2DRD3LTA4HDRD4
SCHEMBL3340549 0.78 LTA4H (0.48) HTR7LTA4HGAA
SCHEMBL4313225 0.78 MAPK14 (0.61) DRD2DRD3SIGMAR1DRD4KDM4E
SCHEMBL7220932 0.77 HTR7 (0.53) HTR7DRD2DRD3SIGMAR1DRD4
SCHEMBL3719392 0.77 HTR7 (0.47) HTR7LTA4HGAA
SCHEMBL4304437 0.77 KDM4E (0.49) HTR7LTA4HKDM4E
SCHEMBL13797779 0.77 HTR7 (0.42) HTR7LTA4HGAA
SCHEMBL1537900 0.75 HTR3E (0.57) HTR7SIGMAR1LTA4H

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
US-7524839-B2 Compounds, their use and preparation BIOVITRUM AM (PUBL.) 2009-04-28 US disclosed
US-7087750-B2 Compounds, their use and preparation BIOVITRUM AB (SE) 2006-08-08 US disclosed
US-20050256106-A1 Novel compounds, their use and preparation BIOVITRUM AB, A STOCKHOLM, SWEDEN CORPORATION 2005-11-17 US disclosed
EP-1326830-A1 2-, 3-, 4-, OR 5-SUBSTITUTED-N1-(BENZENSULFONYL)INDOLES AND THEIR USE IN THERAPY BIOVITRUM AB (SE) 2003-07-16 EP disclosed
US-20020165251-A1 Novel compounds, their use and preparation PROXIMAGEN NEUROSCIENCE PLC (GB) 2002-11-07 US disclosed
WO-2002032863-A1 2-, 3-, 4-, OR 5-SUBSTITUTED-N1-(BENZENSULFONYL)INDOLES AND THEIR USE IN THERAPY BIOVITRUM AB (SE) 2002-04-25 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 (2 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-20020165251-A1 Novel compounds, their use and preparation HTR6, HTR1A, HTR5A HTR7 12/4885DRD2 51/4885DRD3 68/4885
US-20050256106-A1 Novel compounds, their use and preparation HTR6, HTR3C, HTR1A HTR7 9/4885DRD2 50/4885DRD3 65/4885

“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.