SCHEMBL653733

SCHEMBL653733

Clc1cccc2c(C3CCNCC3)c[nH]c12

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.59
HTR2C P28335 5/20 0.58
ADRB2 P07550 1/20 0.58
OPRM1 P35372 2/20 0.57
OPRK1 P41145 2/20 0.57
OPRL1 P41146 2/20 0.57
IKBKB O14920 1/20 0.44
CHUK O15111 1/20 0.44
DYRK1A Q13627 1/20 0.44
HTR2A P28223 1/20 0.42
HTR6 P50406 2/20 0.41
HTR1A P08908 3/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A3 Q01959 3/20 0.41
APP P05067 1/20 0.41

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 SCHEMBL7866378 0.98 HTR2C (0.59) SLC6A4HTR2CADRB2OPRM1OPRK1
SCHEMBL12027649 0.91 SLC6A4 (0.56) SLC6A4HTR2CADRB2OPRM1OPRK1
SCHEMBL25290788 0.84 SLC6A4 (0.58) SLC6A4HTR2CADRB2OPRM1OPRK1
SCHEMBL6812169 0.83 HTR2C (0.59) SLC6A4HTR2CADRB2IKBKBCHUK
SCHEMBL30832683 0.81 HTR2C (0.58) SLC6A4HTR2CADRB2OPRM1OPRK1
SCHEMBL6782459 0.81 HTR2C (0.58) SLC6A4HTR2CADRB2IKBKBCHUK
SCHEMBL6780047 0.81 SLC6A4 (0.59) SLC6A4HTR2CADRB2OPRM1OPRK1
SCHEMBL7867433 0.81 HTR2C (0.50) SLC6A4HTR2CADRB2OPRM1OPRK1
SCHEMBL3419770 0.80 HTR2C (0.44) SLC6A4HTR2CADRB2OPRM1OPRK1
Hydrochloric Acid SCHEMBL7868006 0.80 OPRM1 (0.62) SLC6A4OPRM1OPRK1OPRL1HTR6

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 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663537-B2 Chemokine receptor antagonists and methods of use MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KOGYO CO., LTD. (JP) 2016-02-04 US disclosed
WO-2015082499-A2 PHARMACEUTICAL COMPOUND IOMET PHARMA LTD (GB) 2015-06-11 WO disclosed
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-12-18 US disclosed
US-8653096-B2 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-02-18 US disclosed
US-20120046311-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KOGYO CO., LTD. (JP) 2012-02-23 US disclosed
US-8058287-B2 Chemokine receptor antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-15 US disclosed
EP-2286811-A1 Chemokine receptor antagonists and methods of use thereof Millennium Pharmaceuticals, Inc. (US) 2011-02-23 EP disclosed
US-20090281081-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-11-12 US disclosed
US-7541365-B2 Chemokine receptor antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-06-02 US disclosed
EP-1049700-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR Millennium Pharmaceuticals, Inc. (US) 2000-11-08 EP disclosed
WO-1999037651-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR MILLENIUM PHARMACEUTICALS, INC. (US) 1999-07-29 WO disclosed
US-5789402-A Compounds having effects on serotonin-related systems ELI LILLY COMPANY (US) 1998-08-04 US disclosed
US-5741789-A HETERO-OXY ALKANAMINES ELI LILLY AND COMPANY (US) 1998-04-21 US disclosed
CN-1178530-A Compounds having an effect on 5-hydroxytryptamine related systems LILLY CO ELI (US) 1998-04-08 CN disclosed
US-5627196-A ANTIDEPRESSANTS AND ANTISEROTONIN AGENTS ELI LILLY AND COMPANY (US) 1997-05-06 US disclosed
US-5614523-A INDOLYLOXY COMPOUNDS ELI LILLY AND COMPANY (US) 1997-03-25 US disclosed
US-5576321-A ALKOXY-SUBSTITUTED INDOLES ELI LILLY AND COMPANY (US) 1996-11-19 US disclosed
WO-1996022290-A1 COMPOUNDS HAVING EFFECTS ON SEROTONIN-RELATED SYSTEMS ELI LILLY AND COMPANY (US) 1996-07-25 WO disclosed
EP-0722941-A2 Compounds having effects on serotonin-related systems ELI LILLY AND COMPANY (US) 1996-07-24 EP 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 (4 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-20090281081-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR ACKR3, CCL11, CCR7 SLC6A4 1366/4885HTR2C 3781/4885ADRB2 1258/4885
US-20120046311-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 SLC6A4 1469/4885HTR2C 3111/4885ADRB2 569/4885
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 SLC6A4 1469/4885HTR2C 3111/4885ADRB2 569/4885
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 SLC6A4 1469/4885HTR2C 3111/4885ADRB2 569/4885

“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.