SCHEMBL2736639

SCHEMBL2736639

COC[C@H](C)[C@@H](O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
ADRA2C P18825 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ADRA2A P08913 2/20 0.50
HIF1A Q16665 2/20 0.50
ALDH1A1 P00352 2/20 0.48
ADRA1A P35348 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
CHRM2 P08172 1/20 0.47
RGS12 O14924 1/20 0.47
GLA P06280 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47
NFKB1 P19838 1/20 0.47
HTR2A P28223 1/20 0.47

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
SCHEMBL23980139 1.00 LMNA (0.50) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL27257662 1.00 LMNA (0.50) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL4074447 0.78 ADRA2C (0.53) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL13971006 0.78 ADRA2C (0.53) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL2066405 0.78 ADRA2C (0.53) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL722977 0.78 ADRA2C (0.53) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL21536764 0.77 LMNA (0.48) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL10255083 0.77 AOC3 (0.58) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL14388207 0.77 AOC3 (0.58) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL6689030 0.77 LMNA (0.58) LMNAKDM4EALDH1A1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088924-B2 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor SHIONOGI & CO., LTD. (JP) 2012-01-03 US disclosed
US-8088924-B2 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor SHIONOGI & CO., LTD. (JP) 2012-01-03 US disclosed
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter TADA YUKIO 2010-04-01 US disclosed
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter TADA YUKIO 2010-04-01 US disclosed
US-7652141-B2 Immunosuppressants, analgesics, antiinflammatory agents SHIONOGI & CO., LTD. (JP) 2010-01-26 US disclosed
US-7652141-B2 Immunosuppressants, analgesics, antiinflammatory agents SHIONOGI & CO., LTD. (JP) 2010-01-26 US disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 US disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 US disclosed
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 WO disclosed
US-20070027144-A1 Novel use of cannabinoid receptor agonist SHIONOGI & CO., LTD. (JP) 2007-02-01 US disclosed
US-20070027144-A1 Novel use of cannabinoid receptor agonist SHIONOGI & CO., LTD. (JP) 2007-02-01 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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension REN, AGTR1, AGTR2 LMNA 201/4885ADRA2C 27/4885KDM4E 780/4885
US-20070027144-A1 Novel use of cannabinoid receptor agonist CNR2, CNR1, OPRM1 LMNA 4495/4885ADRA2C 182/4885KDM4E 2957/4885
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter CNR2, CNR1, NPY2R LMNA 3511/4885ADRA2C 117/4885KDM4E 1679/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 LMNA 4604/4885ADRA2C 78/4885KDM4E 3245/4885

“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.