SCHEMBL12558458

SCHEMBL12558458

CC(C)(C)C1=C(C(C)(C)C)Oc2ccccc2CN1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
OXTR P30559 1/20 0.37
HTR5A P47898 2/20 0.33
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
EGFR P00533 2/20 0.32
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL19651518 0.80 GAA (0.46) GAANPSR1MAOAMAOBOXTR
SCHEMBL12595545 0.80 GAA (0.46) GAANPSR1MAOAMAOBOXTR
SCHEMBL22793171 0.70 MAOA (0.52) GAANPSR1MAOAMAOB
SCHEMBL16306319 0.68 GAA (0.56) GAANPSR1MAOAMAOBOXTR
SCHEMBL11195016 0.67 GAA (0.60) GAANPSR1MAOAMAOBOXTR
SCHEMBL147262 0.67 GAA (0.60) GAANPSR1MAOAMAOBOXTR
SCHEMBL1368071 0.67 GAA (1.00) GAANPSR1MAOAMAOBOXTR
SCHEMBL22792839 0.67 CA12 (0.46) GAANPSR1HTR5ACA12CA9
SCHEMBL22792943 0.67 CA12 (0.46) GAANPSR1HTR5ACA12CA9
Hydrochloric Acid SCHEMBL11181597 0.66 GAA (0.58) GAANPSR1MAOAMAOBOXTR

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
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2015-10-08 US disclosed
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 US disclosed
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 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 (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-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT GAA 544/4885NPSR1 492/4885MAOA 15/4885
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT GAA 544/4885NPSR1 492/4885MAOA 15/4885
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT GAA 544/4885NPSR1 492/4885MAOA 15/4885

“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.