SCHEMBL956317

SCHEMBL956317

Cc1cccc(B(O)O)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.48
CCR8 P51685 1/20 0.48
NOS3 P29474 1/20 0.44
NOS2 P35228 1/20 0.44
RAB9A P51151 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
P2RX7 Q99572 1/20 0.38
METAP2 P50579 1/20 0.38
GRM5 P41594 4/20 0.36
NPC1 O15118 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HDAC6 Q9UBN7 2/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
PKM P14618 2/20 0.35
HPGD P15428 2/20 0.35

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
SCHEMBL29955389 1.00 CCR1 (0.48) CCR1CCR8NOS3NOS2RAB9A
SCHEMBL1846388 0.88 GRM5 (0.43) CCR1CCR8NOS3NOS2RAB9A
SCHEMBL20067383 0.82 ENPP2 (0.36) ALDH1A1KDM4ETSHRALOX15
SCHEMBL20150848 0.79 CCR1 (0.41) CCR1CCR8NOS3NOS2RAB9A
SCHEMBL31139482 0.75 CCR1 (0.40) CCR1CCR8RAB9AMEN1KMT2A
SCHEMBL29956196 0.73 ENPP2 (0.34) ALDH1A1HPGD
SCHEMBL30421349 0.73
SCHEMBL9611 0.73
SCHEMBL1771685 0.73 CCR1 (0.71) CCR1CCR8NOS3NOS2RAB9A
SCHEMBL313923 0.71 HTR7 (0.35) GRM5ALDH1A1HPGDTSHRGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119490497-A Organic compound containing fluoropyrimidine derivative, application of organic compound, perovskite solar cell and organic electroluminescent device 北京绿人科技有限责任公司 2025-02-21 CN disclosed
CN-119490498-A Cyanopyrimidine derivative organic compound, application thereof, perovskite solar cell and organic electroluminescent device 北京绿人科技有限责任公司 2025-02-21 CN disclosed
CN-118359538-A Isoquinoline compound, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2024-07-19 CN disclosed
CN-114269753-B Nitrogen-containing bicyclic compound, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2024-03-05 CN disclosed
CN-112119065-B Benzodiazepine compound, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2024-01-23 CN disclosed
CN-117263952-A Condensed-cyclic compound, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-12-22 CN disclosed
CN-111836814-B Condensed-cyclic compound, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-10-20 CN disclosed
CN-112384283-B Therapeutic heterocyclic compounds 吉利德科学公司 2023-08-15 CN disclosed
US-20230227486-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT CANON KABUSHIKI KAISHA (JP) 2023-07-20 US disclosed
US-20230227486-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT CANON KABUSHIKI KAISHA (JP) 2023-07-20 US disclosed
US-8207337-B2 Reagent for organic synthesis reaction containing organic triol borate salt WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-06-26 US disclosed
US-8163781-B2 Bi-aryl aminotetralines HOFFMAN-LA ROCHE INC. (US) 2012-04-24 US disclosed
US-20110263584-A1 Cyclic Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 Vitae Pharmaceuticals, Inc. Boehringer Ingelheim International GmbH 2011-10-27 US disclosed
EP-2291371-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2011-03-09 EP disclosed
US-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals ,Inc. 2011-01-20 US disclosed
EP-2183228-A1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2010-05-12 EP disclosed
US-20100087646-A1 REAGENT FOR ORGANIC SYNTHESIS REACTION CONTAINING ORGANIC TRIOL BORATE SALT WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-08 US disclosed
US-20100041714-A1 BI-ARYL AMINOTETRALINES BLANC JEAN-BAPTISTE 2010-02-18 US disclosed
WO-2009134392-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed
WO-2009017664-A1 CYCLIC INHIBITORS OF 11β-HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 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 (5 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-20110263584-A1 Cyclic Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD17B1, HSD11B2 CCR1 1236/4885CCR8 4455/4885NOS3 3832/4885
US-20100041714-A1 BI-ARYL AMINOTETRALINES HRH4, HRH2, HRH1 CCR1 611/4885CCR8 1906/4885NOS3 1900/4885
US-20230227486-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT SOD1, LEF1, ORC3 CCR1 260/4885CCR8 1165/4885NOS3 201/4885
US-20100087646-A1 REAGENT FOR ORGANIC SYNTHESIS REACTION CONTAINING ORGANIC TRIOL BORATE SALT ORC3, OXSR1, OSTC CCR1 4386/4885CCR8 3833/4885NOS3 756/4885
US-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 CCR1 782/4885CCR8 3615/4885NOS3 2671/4885

“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.