SCHEMBL80140

SCHEMBL80140

N#Cc1ccc(CCCBr)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
HSD17B10 Q99714 1/20 0.55
LOXL2 Q9Y4K0 2/20 0.50
CYP2A6 P11509 2/20 0.50
KCNJ1 P48048 1/20 0.50
KCNH2 Q12809 1/20 0.50
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
GSK3B P49841 1/20 0.42
CYP19A1 P11511 2/20 0.41
DAO P14920 2/20 0.41
IDO1 P14902 2/20 0.40
CA12 O43570 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39
CA14 Q9ULX7 1/20 0.39
MMP12 P39900 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
SCHEMBL6393589 0.92 TSHR (0.61) TSHRHSD17B10LOXL2CYP2A6KCNJ1
SCHEMBL9666850 0.92 TSHR (0.61) TSHRHSD17B10LOXL2CYP2A6KCNJ1
SCHEMBL508063 0.86 LOXL2 (0.54) TSHRHSD17B10LOXL2CYP2A6KCNJ1
SCHEMBL9640908 0.86 TSHR (0.62) TSHRHSD17B10LOXL2CYP2A6KCNJ1
SCHEMBL10569888 0.86 TSHR (0.68) TSHRHSD17B10LOXL2CYP2A6KCNJ1
SCHEMBL16582463 0.84 TSHR (0.71) TSHRHSD17B10LOXL2CYP2A6KCNJ1
SCHEMBL16582531 0.84 TSHR (0.71) TSHRHSD17B10LOXL2CYP2A6KCNJ1
SCHEMBL10569117 0.84 TSHR (0.71) TSHRHSD17B10LOXL2CYP2A6KCNJ1
SCHEMBL9763601 0.82 TSHR (0.47) TSHRHSD17B10LOXL2CYP2A6KCNJ1
SCHEMBL1004267 0.81 LOXL2 (0.64) TSHRHSD17B10LOXL2CYP2A6KCNJ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170037028-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-02-09 US disclosed
EP-3083598-A1 GLUCOSE TRANSPORT INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2016-10-26 EP disclosed
CN-106029647-A Glucose transport inhibitors 拜耳制药股份公司 2016-10-12 CN disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
WO-2015091428-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-25 WO disclosed
US-20130029980-A1 FLAVIN DERIVATIVES COISH PHILIP D G (US) 2013-01-31 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20030149086-A1 EP4 receptor selective agonists in the treatment of osteoporosis CAMERON KIMBERLY O (US) 2003-08-07 US disclosed
US-6552067-B2 For therapy of osteoporosis, frailty, an osteoporotic fracture, a bone defect, childhood idiopathic bone loss, alveolar bone loss, mandibular bone loss, bone fracture, osteotomy, bone loss associated with periodontitis PFIZER INC. 2003-04-22 US disclosed
US-20020065308-A1 EP4 receptor selective agonists in the treatment of osteoporosis LOTUS PHARMACEUTICAL CO., LTD. (JP) 2002-05-30 US disclosed
WO-2002042268-A2 EP4 RECEPTOR SELECTIVE AGONISTS IN THE TREATMENT OF OSTEOPOROSIS PFIZER PRODUCTS INC. (US) 2002-05-30 WO disclosed
EP-0727428-B1 Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions SHINETSU CHEMICAL CO (JP) 2001-06-06 EP disclosed
US-5665271-A Silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-09-09 US disclosed
EP-0727428-A1 Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-08-21 EP disclosed
EP-0259782-B1 NAPHTHALENE AND INDANE DERIVATIVES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESSES FOR THEIR PREPARATION Dr. Karl Thomae GmbH (DE) 1990-12-27 EP disclosed
EP-0332064-A2 Benzocycloheptene derivatives, pharmaceutical preparations containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1989-09-13 EP disclosed
EP-0146333-A1 Organic compounds and their pharmaceutical use Lilly Industries Limited (GB) 1985-06-26 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-20130029980-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS TSHR 3098/4885HSD17B10 887/4885LOXL2 2811/4885
US-20030149086-A1 EP4 receptor selective agonists in the treatment of osteoporosis PTGER4, PTGER1, PTGER2 TSHR 504/4885HSD17B10 3597/4885LOXL2 663/4885
US-20170037028-A1 GLUCOSE TRANSPORT INHIBITORS SLC2A1, SLC2A2, SLC2A4 TSHR 2637/4885HSD17B10 641/4885LOXL2 4576/4885
US-20020065308-A1 EP4 receptor selective agonists in the treatment of osteoporosis PTGER4, PTGER1, PTGER2 TSHR 504/4885HSD17B10 3597/4885LOXL2 663/4885

“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.