SCHEMBL5299447

SCHEMBL5299447

Cc1ccc(C(C)(C)N)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
PDE2A O00408 1/20 0.43
ESR1 P03372 2/20 0.39
KIF11 P52732 3/20 0.39
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
POLB P06746 1/20 0.37
HTR1D P28221 1/20 0.37
CYP19A1 P11511 1/20 0.36
TSHR P16473 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
AKT1 P31749 1/20 0.34
AKT2 P31751 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL16579357 0.81 CYP3A4 (0.50) PDE2AESR1TSHRCYP1A2CYP2D6
SCHEMBL2449570 0.80 MAPT (0.45) ALDH1A1HTR2ATDP1MEN1KMT2A
Hydrochloric Acid SCHEMBL3639704 0.78 ALDH1A1 (0.41) ALDH1A1PDE2AESR1KIF11PRSS1
SCHEMBL3668345 0.78 PDE2A (0.39) ALDH1A1PDE2AESR1POLBHTR1D
SCHEMBL2277025 0.78 PDE2A (0.43) PDE2AESR1POLBTSHRAKT1
SCHEMBL30964976 0.78 PDE2A (0.39) ALDH1A1PDE2AESR1POLBHTR1D
SCHEMBL24422392 0.78 PDE2A (0.35) PDE2AESR1POLBHTR1DCYP1A2
SCHEMBL9064553 0.78 ESR1 (0.61) ALDH1A1ESR1KIF11PRSS1PRSS2
SCHEMBL2009857 0.78 TSHR (0.52) ALDH1A1ESR1KIF11POLBHTR1D
SCHEMBL29498849 0.78 TSHR (0.52) ALDH1A1ESR1KIF11POLBHTR1D

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
WO-2007016190-A2 ANTIPARKINSONIAN ACTION OF PHENYLISOPROPYLAMINES DUKE UNIVERSITY (US) 2007-02-08 WO claimed
US-20070027208-A1 Antiparkinsonian Action of Phenylisopropylamines NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-02-01 US claimed
US-20160355458-A1 INHIBITORS OF COGNITIVE DECLINE COGNITION THERAPEUTICS, INC. 2016-12-08 US disclosed
US-20160221948-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-08-04 US disclosed
US-20160221948-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-08-04 US disclosed
US-20150025063-A1 Antiparkinsonian Action of Phenylisopropylamines UNIV DUKE (US) 2015-01-22 US disclosed
US-8877802-B2 Antiparkinsonian action of phenylisopropylamines Duke Univerity (US) 2014-11-04 US disclosed
US-8765816-B2 Inhibitors of cognitive decline COGNITION THERAPEUTICS, INC. (US) 2014-07-01 US disclosed
US-8530490-B2 Uracil compound or salt thereof having human deoxyuridine triphosphatase inhibitory activity TAIHO PHARMACEUTICAL CO., LTD. (JP) 2013-09-10 US disclosed
US-20110082163-A1 NOVEL URACIL COMPOUND OR SALT THEREOF HAVING HUMAN DEOXYURIDINE TRIPHOSPHATASE INHIBITORY ACTIVITY TAIHO PHARMACEUTICAL CO., LTD. (JP) 2011-04-07 US disclosed
WO-2007016190-A2 ANTIPARKINSONIAN ACTION OF PHENYLISOPROPYLAMINES DUKE UNIVERSITY (US) 2007-02-08 WO disclosed
US-20070027208-A1 Antiparkinsonian Action of Phenylisopropylamines NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 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 (5 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-20160221948-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-4, HRH4 ALDH1A1 2734/4885PDE2A 2683/4885ESR1 1116/4885
US-20070027208-A1 Antiparkinsonian Action of Phenylisopropylamines PNMT, SNCA, COMT ALDH1A1 926/4885PDE2A 96/4885ESR1 4627/4885
US-20160355458-A1 INHIBITORS OF COGNITIVE DECLINE PSEN2, ACHE, MAPT ALDH1A1 3071/4885PDE2A 160/4885ESR1 4324/4885
US-20150025063-A1 Antiparkinsonian Action of Phenylisopropylamines PNMT, SNCA, COMT ALDH1A1 926/4885PDE2A 96/4885ESR1 4627/4885
US-20110082163-A1 NOVEL URACIL COMPOUND OR SALT THEREOF HAVING HUMAN DEOXYURIDINE TRIPHOSPHATASE INHIBITORY ACTIVITY SNRPB2, SNRPA1, DUT ALDH1A1 1216/4885PDE2A 4339/4885ESR1 2437/4885

“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.