SCHEMBL18889652

SCHEMBL18889652

C1=NC(c2ccccc2)C(c2ccccc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.39
MAOA P21397 7/20 0.39
HTR2C P28335 6/20 0.39
KDM1A O60341 5/20 0.39
CYP2C19 P33261 4/20 0.39
CYP2B6 P20813 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
LMNA P02545 2/20 0.39
TAAR1 Q96RJ0 2/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
CYP2A6 P11509 1/20 0.39
SLC6A2 P23975 1/20 0.39
ADRA1A P35348 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL442267 0.80 CYP2C19 (0.33) MAOBMAOAKDM1ACYP2C19SLC6A2
SCHEMBL15532637 0.79 MAOB (0.41) MAOBMAOAHTR2CKDM1ACYP2C19
SCHEMBL9249456 0.76 RIPK1 (0.32) CHRNA7
SCHEMBL7068812 0.72 NOS1 (0.40) MAOBMAOAHTR2CKDM1ACYP2C19
SCHEMBL5536495 0.71 MAOB (0.41) MAOBMAOAHTR2CKDM1ACYP2C19
SCHEMBL2769401 0.67 MAOB (0.57) MAOBMAOAHTR2CKDM1ACYP2C19
SCHEMBL2768025 0.67 MAOB (0.57) MAOBMAOAHTR2CKDM1ACYP2C19
SCHEMBL2768026 0.67 MAOB (0.57) MAOBMAOAHTR2CKDM1ACYP2C19
SCHEMBL11286867 0.67 MAOB (0.38) MAOBMAOAHTR2CKDM1ACYP2C19
SCHEMBL779571 0.66 CHRNA7 (0.45) MAOBMAOAHTR2CKDM1ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9708310-B2 Phenanthroindolizidine and phenanthroquinolizidine alkaloid having a hydroxyl group on the phenanthrene ring thereof, preparation method and use thereof CHINA MEDICAL UNIVERSITY (TW) 2017-07-18 US claimed
US-20170152257-A1 PHENANTHROINDOLIZIDINE AND PHENANTHROQUINOLIZIDINE ALKALOID HAVING A HYDROXYL GROUP ON THE PHENANTHRENE RING THEREOF, PREPARATION METHOD AND USE THEREOF CHINA MEDICAL UNIVERSITY (TW) 2017-06-01 US claimed
US-9708310-B2 Phenanthroindolizidine and phenanthroquinolizidine alkaloid having a hydroxyl group on the phenanthrene ring thereof, preparation method and use thereof CHINA MEDICAL UNIVERSITY (TW) 2017-07-18 US disclosed
US-20170152257-A1 PHENANTHROINDOLIZIDINE AND PHENANTHROQUINOLIZIDINE ALKALOID HAVING A HYDROXYL GROUP ON THE PHENANTHRENE RING THEREOF, PREPARATION METHOD AND USE THEREOF CHINA MEDICAL UNIVERSITY (TW) 2017-06-01 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 (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-20170152257-A1 PHENANTHROINDOLIZIDINE AND PHENANTHROQUINOLIZIDINE ALKALOID HAVING A HYDROXYL GROUP ON THE PHENANTHRENE RING THEREOF, PREPARATION METHOD AND USE THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PAH, HIPK4 MAOB 257/4885MAOA 127/4885HTR2C 522/4885

“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.