SCHEMBL4304437

SCHEMBL4304437

CC(C)N1CCN(c2ccc3[nH]ccc3c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49
HRH3 Q9Y5N1 1/20 0.44
HTR7 P34969 3/20 0.42
EGFR P00533 5/20 0.41
IGF1R P08069 1/20 0.41
KHK P50053 1/20 0.40
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39

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) KDM4EMAPTHTR7EGFR
SCHEMBL3340549 0.80 LTA4H (0.48) ALDH1A1MAPTHTR7AHRNR4A2
SCHEMBL3719392 0.79 HTR7 (0.47) ALDH1A1MAPTPKMHTR7AHR
SCHEMBL13797779 0.79 HTR7 (0.42) HTR7EGFRGABRPGABRDGABRA1
SCHEMBL1537900 0.78 HTR3E (0.57) HTR7CYP3A4AHRNR4A2CYP2A6
SCHEMBL4309899 0.77 HTR7 (0.53) KDM4EHTR7LTA4H
SCHEMBL442575 0.76 JAK2 (0.56) KDM4EALDH1A1MAPTHTR7
SCHEMBL31141983 0.76 LGMN (0.47) ALDH1A1MAPTHTR7EGFRGABRP
SCHEMBL30619464 0.76 JAK2 (0.56) KDM4EALDH1A1MAPTHTR7
SCHEMBL21336580 0.75 HRH3 (0.64) KDM4EALDH1A1MAPTPKMHRH3

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
US-7524839-B2 Compounds, their use and preparation BIOVITRUM AM (PUBL.) 2009-04-28 US disclosed
CN-101298433-A 2-, 3-, 4-, or 5-substituted-n1-(benzensulfonyl)indoles and their use in therapy BIOVITRUM AB (SE) 2008-11-05 CN disclosed
CN-100378074-C 2-, 3-, 4-or 5-substituted N1- (phenylsulfonyl) indoles and their therapeutic use BIOVITRUM AB (SE) 2008-04-02 CN disclosed
US-7087750-B2 Compounds, their use and preparation BIOVITRUM AB (SE) 2006-08-08 US disclosed
CN-1714077-A 2-, 3-, 4-or 5-substituted N1- (phenylsulfonyl) indoles and their therapeutic use BIOVITRUM AB (SE) 2005-12-28 CN 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 KDM4E 1137/4885ALDH1A1 763/4885MAPT 2795/4885
US-20050256106-A1 Novel compounds, their use and preparation HTR6, HTR3C, HTR1A KDM4E 1472/4885ALDH1A1 1009/4885MAPT 2903/4885

“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.