SCHEMBL2006482

SCHEMBL2006482

Cc1cccc2c1CCC2NC1=NCCS1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.42
LMNA P02545 3/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
MAPT P10636 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
TRPV1 Q8NER1 1/20 0.38
NPC1 O15118 4/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL12437171 1.00 RAB9A (0.42) RAB9ALMNACYP3A4CYP2D6TSHR
SCHEMBL12253305 0.87 MAPT (0.39) RAB9ALMNAMAPTNPC1KDM4E
SCHEMBL1719023 0.84 ATM (0.42) RAB9AMAPTNPC1POLBSMN1; SMN2
SCHEMBL12567258 0.79 RAB9A (0.42) RAB9ALMNACYP3A4CYP2D6TSHR
SCHEMBL1993959 0.78 LMNA (0.49) LMNAADRA2AADRA2BADRA2CADRA1A
SCHEMBL11903742 0.76 LMNA (0.57) LMNAADRA2AADRA2BADRA2CADRA1D
SCHEMBL12437176 0.74 HTR1D (0.50) LMNACYP2D6ADRA2AADRA2BADRA2C
SCHEMBL12437177 0.74 HTR1D (0.50) LMNACYP2D6ADRA2AADRA2BADRA2C
SCHEMBL2214929 0.74 HTR1D (0.50) LMNACYP2D6ADRA2AADRA2BADRA2C
SCHEMBL2216731 0.74 ADRA2A (0.57) ADRA2AADRA2BADRA2CADRA1DADRA1A

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-101855213-B Therapeutic compounds ALLERGAN INC 2014-09-10 CN disclosed
US-8309739-B2 Chemical compounds SYNGENTA LIMITED (GB) 2012-11-13 US disclosed
US-8309739-B2 Chemical compounds SYNGENTA LIMITED (GB) 2012-11-13 US disclosed
US-8309739-B2 Chemical compounds SYNGENTA LIMITED (GB) 2012-11-13 US disclosed
CN-101263132-B Chemical compounds SYNGENTA PARTICIPATIONS AG (CH) 2011-12-21 CN disclosed
US-20110218341-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-09-08 US disclosed
US-20110218341-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-09-08 US disclosed
US-20110218341-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-09-08 US disclosed
US-20110178143-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2011-07-21 US disclosed
US-7960310-B2 Method of combating and controlling insects SYNGENTA PARTICIPATIONS AG (CH) 2011-06-14 US disclosed
EP-1919886-B1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2010-10-06 EP disclosed
EP-2188261-A1 THERAPEUTIC COMPOUNDS Allergan, Inc. (US) 2010-05-26 EP disclosed
WO-2009023757-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2009-02-19 WO disclosed
US-20080300285-A1 Chemical Compounds SYNGENTA CROP PROTECTION, INC. (US) 2008-12-04 US disclosed
US-20080300285-A1 Chemical Compounds SYNGENTA CROP PROTECTION, INC. (US) 2008-12-04 US disclosed
US-20080300285-A1 Chemical Compounds SYNGENTA CROP PROTECTION, INC. (US) 2008-12-04 US disclosed
CN-101263132-A Chemical compounds SYNGENTA PARTICIPATIONS AG (CH) 2008-09-10 CN disclosed
EP-1919886-A2 CHEMICAL COMPOUNDS Syngeta Participations AG (CH) 2008-05-14 EP disclosed
WO-2007020377-A2 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2007-02-22 WO disclosed
WO-2007020377-A2 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2007-02-22 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 (3 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-20110178143-A1 THERAPEUTIC COMPOUNDS GOT2, GOT1, ANXA5 RAB9A 2294/4885LMNA 2315/4885CYP3A4 675/4885
US-20080300285-A1 Chemical Compounds CHRM5, OR10J3, CHRM3 RAB9A 1123/4885LMNA 4704/4885CYP3A4 1480/4885
US-20110218341-A1 CHEMICAL COMPOUNDS OR10J3, NR0B1, NR0B2 RAB9A 1311/4885LMNA 4629/4885CYP3A4 1653/4885

“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.