SCHEMBL370543

SCHEMBL370543

Nc1ccc(OCCN2CCOCC2)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.59
CNR2 P34972 1/20 0.59
MAOB P27338 1/20 0.55
DRD1 P21728 1/20 0.53
DRD4 P21917 1/20 0.53
DRD5 P21918 1/20 0.53
POLB P06746 1/20 0.51
KDM4E B2RXH2 3/20 0.50
KMT2A Q03164 2/20 0.50
TSHR P16473 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
NOS3 P29474 1/20 0.50
NOS1 P29475 1/20 0.50
NOS2 P35228 1/20 0.50
MAPK14 Q16539 2/20 0.49
MAPK13 O15264 1/20 0.49
MAPK12 P53778 1/20 0.49
MAPK11 Q15759 1/20 0.49
MEN1 O00255 1/20 0.49

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 SCHEMBL5497258 0.99 CNR1 (0.58) CNR1CNR2MAOBDRD1DRD4
Hydrochloric Acid SCHEMBL6247218 0.99 CNR1 (0.58) CNR1CNR2MAOBDRD1DRD4
SCHEMBL23065576 0.87 LTA4H (0.58) CNR1CNR2KMT2ANPC1RAB9A
SCHEMBL4246615 0.86 NOS3 (0.62) DRD1DRD4DRD5TSHRNOS3
SCHEMBL2788546 0.84 CNR1 (0.57) CNR1CNR2MAOBDRD1DRD4
SCHEMBL5818334 0.83 CNR1 (0.59) CNR1CNR2MAOBDRD1DRD4
SCHEMBL1853220 0.82 DRD1 (0.62) MAOBDRD1DRD4DRD5POLB
Hydrochloric Acid SCHEMBL6250126 0.82 CNR1 (0.51) CNR1CNR2KMT2ATSHRMAPK14
SCHEMBL6260918 0.82 CNR1 (0.64) CNR1CNR2MAOBPOLBKDM4E
SCHEMBL6162899 0.81 NOS3 (0.48) CNR1CNR2KMT2ATSHRNOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670787-A4 CYTOKINE INHIBITORS KEMIA INC (US) 2009-04-22 EP claimed
EP-1670787-A2 CYTOKINE INHIBITORS Kemia, INC. (US) 2006-06-21 EP claimed
US-20050107399-A1 Cytokine inhibitors KEMIA, INC. 2005-05-19 US claimed
WO-2005023761-A2 CYTOKINE INHIBITORS KEMIA, INC. (US) 2005-03-17 WO claimed
US-20040138216-A1 Process for the preparation of an essentially pure polymorph of an n-pyrazolyl-n'-naphthyl-urea BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-15 US claimed
US-6753426-B2 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-06-22 US claimed
US-20030109703-A1 Polymorph and process for preparing same BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-06-12 US claimed
US-11667648-B2 Cell-permeable, cell-compatible, and cleavable linkers for covalent tethering of functional elements PROMEGA CORPORATION (US) 2023-06-06 US disclosed
US-11667648-B2 Cell-permeable, cell-compatible, and cleavable linkers for covalent tethering of functional elements PROMEGA CORPORATION (US) 2023-06-06 US disclosed
US-20200199140-A1 CELL-PERMEABLE, CELL-COMPATIBLE, AND CLEAVABLE LINKERS FOR COVALENT TETHERING OF FUNCTIONAL ELEMENTS PROMEGA CORPORATION 2020-06-25 US disclosed
US-10618907-B2 Cell-permeable, cell-compatible, and cleavable linkers for covalent tethering of functional elements PROMEGA CORPORATION (US) 2020-04-14 US disclosed
US-20180125848-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2018-05-10 US disclosed
US-20180125848-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2018-05-10 US disclosed
EP-1157026-A1 POLYCYCLO HETEROCYCLIC DERIVATIVES AS ANTIINFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2001-11-28 EP disclosed
US-6297381-B1 INHIBIT THE RELEASE OF INFLAMMATORY CYTOKINES SUCH AS INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR, UREAS OR THIOUREAS SUBSTITUTED BY A PYRROLE OR THIOPHENE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-10-02 US disclosed
US-6242453-B1 Polycyclo heterocyclic derivatives as antiinflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC 2001-06-05 US disclosed
WO-2001036403-A1 UREA DERIVATIVES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-05-25 WO disclosed
WO-2001004115-A2 NOVEL PROCESS FOR SYNTHESIS OF HETEROARYL-SUBSTITUTED UREA COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-01-18 WO disclosed
WO-2000055152-A1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-09-21 WO disclosed
WO-2000050425-A1 POLYCYCLO HETEROCYCLIC DERIVATIVES AS ANTIINFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-08-31 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 (6 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-20180125848-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 CNR1 1553/4885CNR2 1334/4885MAOB 1385/4885
US-20050107399-A1 Cytokine inhibitors TNF, IL1RN, IL1A CNR1 2862/4885CNR2 2697/4885MAOB 4014/4885
US-20200199140-A1 CELL-PERMEABLE, CELL-COMPATIBLE, AND CLEAVABLE LINKERS FOR COVALENT TETHERING OF FUNCTIONAL ELEMENTS LNPK, EPCAM, AFG3L2 CNR1 3542/4885CNR2 4040/4885MAOB 4359/4885
US-20030109703-A1 Polymorph and process for preparing same UGT1A1, CYP1A1, CYP1B1 CNR1 296/4885CNR2 613/4885MAOB 1170/4885
US-11667648-B2 Cell-permeable, cell-compatible, and cleavable linkers for covalent tethering of functional elements LNPK, EPCAM, AFG3L2 CNR1 3542/4885CNR2 4040/4885MAOB 4359/4885
US-10618907-B2 Cell-permeable, cell-compatible, and cleavable linkers for covalent tethering of functional elements LNPK, EPCAM, AFG3L2 CNR1 3542/4885CNR2 4040/4885MAOB 4359/4885

“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.