SCHEMBL1929167

SCHEMBL1929167

CC1(C)CCCC(C)(C)N1CCCl

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33

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 SCHEMBL1928089 0.98 TSHR (0.32) TSHRNFKB1CYP2C19
SCHEMBL11604688 0.90
SCHEMBL28849079 0.86 TSHR (0.31) TSHRNFKB1CYP2C19
SCHEMBL10170023 0.84 TSHR (0.38) TSHRNFKB1CYP2C19
SCHEMBL10170322 0.79 TSHR (0.35) TSHRNFKB1CYP2C19
SCHEMBL10171050 0.77 TSHR (0.34) TSHRNFKB1CYP2C19
SCHEMBL8476820 0.77 TSHR (0.34) TSHRNFKB1CYP2C19
SCHEMBL10170323 0.77 TSHR (0.34) TSHRNFKB1CYP2C19
SCHEMBL10171052 0.77 TSHR (0.34) TSHRNFKB1CYP2C19
SCHEMBL5413639 0.75 TSHR (0.33) TSHRNFKB1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105837505-A Water or oil soluble controllable fluorescent monomer for copolymerization and preparation method thereof 上海大学 2016-08-10 CN claimed
CN-105837505-A Water or oil soluble controllable fluorescent monomer for copolymerization and preparation method thereof 上海大学 2016-08-10 CN disclosed
US-8618132-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-12-31 US disclosed
EP-1558578-B1 NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA (DE) 2013-03-13 EP disclosed
EP-2357173-A1 New alkyne compounds with MCH-antagonistic activity and medicaments containing them Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2011-08-17 EP disclosed
US-20110152234-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-06-23 US disclosed
US-7956084-B2 Phenyl thiophene carboxamide compounds as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2011-06-07 US disclosed
EP-1421074-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-29 EP disclosed
CN-1732154-B Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA 2010-09-08 CN disclosed
US-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-03-12 US disclosed
CN-1732154-A Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA (DE) 2006-02-08 CN disclosed
US-20040242573-A1 Novel compounds ASTRAZENECA AB (SE) 2004-12-02 US disclosed
US-20040209865-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-10-21 US disclosed
EP-1421074-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-05-26 EP disclosed
WO-2003010158-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-02-06 WO disclosed
EP-0457331-B1 Piperidine derivatives and antiulcer composition containing the same MEIJI SEIKA KAISHA (JP) 1996-11-20 EP disclosed
US-5185347-A PIPERIDINE COMPOUNDS AND ANTIULCER COMPOSITION CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 1993-02-09 US disclosed
EP-0457331-A1 Piperidine derivatives and antiulcer composition containing the same MEIJI SEIKA KAISHA LTD. (JP) 1991-11-21 EP disclosed
US-4104380-A Dibenzyl glycolic acid derivatives WARNER-LAMBERT COMPANY (US) 1978-08-01 US disclosed
US-4076937-A Dibenzyl glycolic acid derivatives WARNER-LAMBERT COMPANY (US) 1978-02-28 US 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-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 TSHR 529/4885NFKB1 4192/4885CYP2C19 31/4885
US-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 TSHR 109/4885NFKB1 2847/4885CYP2C19 3472/4885
US-20040209865-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MCHR2, NPY1R TSHR 133/4885NFKB1 3077/4885CYP2C19 3629/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 TSHR 182/4885NFKB1 3899/4885CYP2C19 23/4885

“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.