SCHEMBL4933784

SCHEMBL4933784

CCc1ncnc2ccc(CCc3cc(OC)ccc3OC)cc12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.47
MTNR1B P49286 4/20 0.47
ADRA1A P35348 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
P2RX3 P56373 2/20 0.41
ABCB1 P08183 3/20 0.41
AOC3 Q16853 1/20 0.40
DHFR P00374 1/20 0.40
APP P05067 1/20 0.40
EGFR P00533 2/20 0.40
LCK P06239 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL7803103 0.86 ADRA1A (0.46) ADRA1ATAAR1P2RX3ABCB1AOC3
SCHEMBL7803101 0.85 CALM1 (0.44) MTNR1AMTNR1BADRA1ATAAR1P2RX3
SCHEMBL7795285 0.85 ENPP1 (0.45) ADRA1ATAAR1P2RX3ABCB1AOC3
SCHEMBL8439119 0.85 MAP4K4 (0.54) ADRA1ATAAR1P2RX3AOC3DHFR
SCHEMBL7796255 0.81 ADRA1A (0.41) ADRA1ATAAR1P2RX3ABCB1AOC3
SCHEMBL12844505 0.81 MTNR1B (0.60) MTNR1AMTNR1BADRA1AEGFRLCK
SCHEMBL7796168 0.78 MTNR1B (0.43) MTNR1AMTNR1BP2RX3KMT2A
SCHEMBL7796198 0.78 MTNR1A (0.46) MTNR1AMTNR1BADRA1ATAAR1P2RX3
SCHEMBL7804802 0.77 MTNR1A (0.44) MTNR1AMTNR1BDHFREGFRLCK
SCHEMBL7804833 0.76 IP6K1 (0.57) ADRA1ATAAR1P2RX3DHFR

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242686-A1 PHARMACEUTICAL COMPOSITIONS OF LAVENDUSTIN KRIWET KATRIN 2008-10-02 US claimed
EP-0815087-B1 TRISUBSTITUTED PHENYL DERIVATIVES NOVARTIS AG (CH) 2001-11-14 EP claimed
US-5990116-A USE IN PREVENTION OR TREATMENT OF INFLAMMATORY AND PROLIFERATIVE SKIN DISEASES AND CANCER; COMPOUNDS SUCH AS 6-(2-(2,5-DIMETHOXYPHENYL)ETHYL)-4-ETHYL-QUINAZOLINE NOVARTIS AG (CH) 1999-11-23 US claimed
EP-0815087-A1 TRISUBSTITUTED PHENYL DERIVATIVES Novartis AG (CH) 1998-01-07 EP claimed
WO-1996028430-A1 TRISUBSTITUTED PHENYL DERIVATIVES NOVARTIS AG (CH) 1996-09-19 WO claimed
WO-2016167361-A1 METHOD FOR PRODUCING ORGANIC COMPOUND SUBSTANTIALLY FREE OF Pd, AND NOVEL METHOD FOR REMOVING Pd FROM ORGANIC COMPOUND USING HYDROGEN GAS アステラス製薬株式会社 2016-10-20 WO disclosed
US-20080242686-A1 PHARMACEUTICAL COMPOSITIONS OF LAVENDUSTIN KRIWET KATRIN 2008-10-02 US disclosed
EP-1675621-B1 PHARMACEUTICAL COMPOSITIONS OF LAVENDUSTIN NOVARTIS AG (CH) 2007-02-28 EP disclosed
US-20060205746-A1 Pharmaceutical compositions KRIWET KATRIN 2006-09-14 US disclosed
EP-1675621-A2 PHARMACEUTICAL COMPOSITIONS OF LAVENDUSTIN Novartis AG (CH) 2006-07-05 EP disclosed
WO-2005016322-A2 PHARMACEUTICAL COMPOSITIONS OF LAVENDUSTIN NOVARTIS AG (CH) 2005-02-24 WO disclosed
EP-0815087-B1 TRISUBSTITUTED PHENYL DERIVATIVES NOVARTIS AG (CH) 2001-11-14 EP disclosed
US-5990116-A USE IN PREVENTION OR TREATMENT OF INFLAMMATORY AND PROLIFERATIVE SKIN DISEASES AND CANCER; COMPOUNDS SUCH AS 6-(2-(2,5-DIMETHOXYPHENYL)ETHYL)-4-ETHYL-QUINAZOLINE NOVARTIS AG (CH) 1999-11-23 US disclosed
EP-0815087-A1 TRISUBSTITUTED PHENYL DERIVATIVES Novartis AG (CH) 1998-01-07 EP disclosed
WO-1996028430-A1 TRISUBSTITUTED PHENYL DERIVATIVES NOVARTIS AG (CH) 1996-09-19 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 (2 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-20060205746-A1 Pharmaceutical compositions LRAT, ELOC, MLEC MTNR1A 3076/4885MTNR1B 3450/4885ADRA1A 512/4885
US-20080242686-A1 PHARMACEUTICAL COMPOSITIONS OF LAVENDUSTIN LYN, ELOC, TYR MTNR1A 2203/4885MTNR1B 2570/4885ADRA1A 1002/4885

“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.