SCHEMBL5367358

SCHEMBL5367358

C=CCN(c1ccccc1)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.42
ESR1 P03372 1/20 0.41
S1PR1 P21453 1/20 0.41
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.36
C5AR1 P21730 1/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34

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
SCHEMBL31497268 0.85 ALDH1A1 (0.45) ALDH1A1LMNASMN1; SMN2CYP1A2TSHR
SCHEMBL8615002 0.85 ESR1 (0.40) TAAR1ESR1S1PR1ALDH1A1LMNA
SCHEMBL23800848 0.83 HTR2A (0.36) TAAR1ESR1S1PR1ALDH1A1SMN1; SMN2
SCHEMBL10799818 0.81 ESR1 (0.44) TAAR1ESR1S1PR1ALDH1A1LMNA
SCHEMBL10589998 0.80 CYP2C19 (0.41) ESR1S1PR1ALDH1A1LMNATP53
SCHEMBL11788444 0.79 S1PR1 (0.38) ESR1S1PR1ALDH1A1LMNATP53
SCHEMBL24730244 0.79 TRPM8 (0.43) TAAR1ESR1S1PR1ALDH1A1SMN1; SMN2
SCHEMBL11794334 0.79 ESR1 (0.31) ESR1S1PR1
SCHEMBL20689739 0.78 TAAR1 (0.41) TAAR1ESR1ALDH1A1LMNATP53
SCHEMBL11396356 0.77 ESR1 (0.40) ESR1S1PR1ALDH1A1SMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-7026429-B2 Hydrophilic polyurethane-polyurea dispersions BAYER AKTIENGESELLSCHAFT (DE) 2006-04-11 US disclosed
US-20050176883-A1 Hydrophilic polyurethane-polyurea dispersions BAYER AKTIENGESELLSCHAFT (DE) 2005-08-11 US disclosed
US-6784243-B2 COMPRISES N-TERT-BUTYLBENZYLAMINE AS BLOCKING AGENT; FOR GLASS FIBERS BAYER AKTIENGESELLSCHAFT (DE) 2004-08-31 US disclosed
US-20030232199-A1 Polyurethane-polyurea dispersions COVESTRO DEUTSCHLAND AG (DE) 2003-12-18 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 (2 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-20070027208-A1 Antiparkinsonian Action of Phenylisopropylamines PNMT, SNCA, COMT TAAR1 1075/4885ESR1 4627/4885S1PR1 962/4885
US-20150025063-A1 Antiparkinsonian Action of Phenylisopropylamines PNMT, SNCA, COMT TAAR1 1075/4885ESR1 4627/4885S1PR1 962/4885

“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.