SCHEMBL2599474

SCHEMBL2599474

Cc1ccccc1C1(C)COCCN1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 1/20 0.39
SIGMAR1 Q99720 11/20 0.38
TMEM97 Q5BJF2 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
ADRA2A P08913 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35

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
SCHEMBL6132960 0.78 JAK2 (0.44) SIGMAR1TMEM97LMNAPOLBALDH1A1
SCHEMBL6132839 0.75 SIGMAR1 (0.41) SIGMAR1TMEM97POLBALDH1A1CYP3A4
SCHEMBL6133227 0.73 ALDH1A1 (0.39) SIGMAR1POLBALDH1A1TSHRMEN1
SCHEMBL2770419 0.73 MCHR1 (0.42) SIGMAR1POLBALDH1A1CYP3A4TSHR
SCHEMBL15573689 0.72 FKBP1A (0.41) SIGMAR1TMEM97LMNAPOLBALDH1A1
SCHEMBL6133048 0.71 MEN1 (0.39) SIGMAR1POLBALDH1A1CYP2D6TSHR
SCHEMBL15273947 0.69 CYP2A13 (0.38) CYP2A13POLBALDH1A1KMT2A
SCHEMBL25081010 0.69 ALDH1A1 (0.43) CYP2A13SIGMAR1TMEM97LMNAPOLB
SCHEMBL6225423 0.69 SIGMAR1 (0.45) SIGMAR1TMEM97ALDH1A1TP53CYP1A2
SCHEMBL2072649 0.68 ALDH1A1 (0.40) POLBALDH1A1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571858-B1 PHENYLMORPHOLINES AND ANALOGUES THEREOF RES TRIANGLE INST (US) 2018-06-20 EP disclosed
US-9617229-B2 Phenylmorpholines and analogues thereof RESEARCH TRIANGLE INSTITUTE (US) 2017-04-11 US disclosed
US-20130203752-A1 PHENYLMORPHOLINES AND ANALOGUES THEREOF NIH-DEITR 2013-08-08 US disclosed
EP-2571858-A1 PHENYLMORPHOLINES AND ANALOGUES THEREOF Research Triangle Institute (US) 2013-03-27 EP disclosed
WO-2011146850-A1 PHENYLMORPHOLINES AND ANALOGUES THEREOF RESEARCH TRIANGLE INSTITUTE (US) 2011-11-24 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 (1 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-20130203752-A1 PHENYLMORPHOLINES AND ANALOGUES THEREOF PNMT, OPRL1, OPRM1 CYP2A13 1629/4885SIGMAR1 18/4885TMEM97 613/4885

“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.