SCHEMBL104471

SCHEMBL104471

Fc1ccc(C#CCBr)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.40
GRM5 P41594 3/20 0.36
DRD2 P14416 3/20 0.36
GRIN2B Q13224 1/20 0.36
PTPN1 P18031 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
LMNA P02545 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP12 P39900 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
THPO P40225 1/20 0.33
APP P05067 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL15148137 0.82 DRD2 (0.38) FFAR1GRM5DRD2GRIN2BPTPN1
SCHEMBL508102 0.78 PYCR1 (0.41) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL103643 0.76 MMP2 (0.47) FFAR1GRM5DRD2GRIN2BLMNA
SCHEMBL7573145 0.76 CYP2C19 (0.60) FFAR1GRM5DRD2GRIN2BCYP1A2
SCHEMBL2432676 0.76 LMNA (0.46) GRM5DRD2CHRM2CHRM1LMNA
SCHEMBL14575100 0.76 GABRP (0.41) FFAR1GRM5DRD2GRIN2BCHRM2
SCHEMBL8303950 0.76 GRM5 (0.35) GRM5CHRM2CHRM1
SCHEMBL565489 0.76 APP (0.36) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1066892 0.76 KCNH2 (0.53) FFAR1GRM5LMNAKCNH2
SCHEMBL6508646 0.76 APP (0.48) GRIN2BPTPN1LMNAHCAR2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3891149-B1 RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2026-01-28 EP disclosed
CN-111285873-B RET inhibitor, pharmaceutical composition thereof and application thereof 广东东阳光药业股份有限公司 2024-10-15 CN disclosed
US-20220135557-A1 RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2022-05-05 US disclosed
CN-111662147-B Process for preparing diynes and analogues thereof 清华大学 2021-08-10 CN disclosed
CN-111662147-A Process for preparing diynes and analogues thereof 清华大学 2020-09-15 CN disclosed
EP-2807171-B1 HETEROCYCLIC COMPOUNDS AND METHODS FOR THEIR USE NOVARTIS AG (CH) 2020-08-12 EP disclosed
CN-111285873-A RET inhibitors, pharmaceutical compositions thereof and uses thereof 广东东阳光药业有限公司 2020-06-16 CN disclosed
EP-2807153-B1 HETEROCYCLIC COMPOUNDS AND METHODS FOR THEIR USE NOVARTIS AG (CH) 2020-03-25 EP disclosed
US-9714224-B2 Heterocyclic compounds and methods of their use NOVARTIS AG (CH) 2017-07-25 US disclosed
US-9714224-B2 Heterocyclic compounds and methods of their use NOVARTIS AG (CH) 2017-07-25 US disclosed
WO-2010103547-A2 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2010-09-16 WO disclosed
WO-2009093269-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC LIMITED (IN) 2009-07-30 WO disclosed
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2009-05-14 US disclosed
EP-1765795-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2007-03-28 EP disclosed
WO-2005123703-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2005-12-29 WO disclosed
US-6569873-B2 Treating or inhibiting metabolic disorders related to insulin resistance or hyperglycemia, atherosclerosis, gastrointestinal disorders, neurogenetic inflammation, glaucoma, ocular hypertension and frequent urination WYETH 2003-05-27 US disclosed
US-20030055079-A1 Azolidines as beta-3 adrenergic receptor agonists WYETH 2003-03-20 US disclosed
US-6465501-B2 USEFUL IN TREATING OR INHIBITING METABOLIC DISORDERS RELATED TO INSULIN RESISTANCE OR HYPERGLYCEMIA, ATHEROSCLEROSIS, GASTROINTESTINAL DISORDERS, NEUROGENETIC INFLAMMATION, GLAUCOMA, OCULAR HYPERTENSION AND INCONTINENCE WYETH 2002-10-15 US disclosed
US-20020032222-A1 Azolidines as beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-14 US disclosed
WO-2002006258-A1 AZOLIDINES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 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 (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-20030055079-A1 Azolidines as beta-3 adrenergic receptor agonists GPR119, ADRB1, ADRB3 FFAR1 113/4885GRM5 531/4885DRD2 361/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 FFAR1 131/4885GRM5 1/4885DRD2 282/4885
US-20220135557-A1 RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF RET, REL, SLC10A2 FFAR1 778/4885GRM5 282/4885DRD2 2772/4885
US-20020032222-A1 Azolidines as beta-3 adrenergic receptor agonists GPR119, ADRB1, ADRB3 FFAR1 113/4885GRM5 531/4885DRD2 361/4885

“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.