SCHEMBL4949030

SCHEMBL4949030

CC(C)(O)c1ccc(CCCN)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.44
ESR1 P03372 2/20 0.42
CYP19A1 P11511 2/20 0.42
ESR2 Q92731 2/20 0.42
HTR2A P28223 2/20 0.42
KIF11 P52732 1/20 0.42
MAOA P21397 1/20 0.42
KCNH2 Q12809 1/20 0.42
MAOB P27338 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
SLC6A2 P23975 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR3A P46098 1/20 0.39
BACE1 P56817 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL7684129 0.88 TAAR1 (0.58) TAAR1HTR2AMAOBCYP1A2CYP2A6
SCHEMBL4853802 0.87 KCNH2 (0.47) ESR1ESR2KCNH2KDM4EALDH1A1
SCHEMBL18802714 0.87 KCNH2 (0.52) ESR1KCNH2KDM4EALDH1A1ADRA2A
SCHEMBL18802705 0.85 KCNH2 (0.50) ESR1HTR2AKCNH2KDM4EALDH1A1
SCHEMBL18802741 0.85 KCNH2 (0.50) ESR1HTR2AKCNH2KDM4EALDH1A1
SCHEMBL2879490 0.83 KCNH2 (0.58) TAAR1HTR2AMAOAKCNH2SIGMAR1
SCHEMBL548192 0.83 MEN1 (0.45) TAAR1ESR1ESR2KCNH2SIGMAR1
SCHEMBL18911119 0.82 CA2 (0.52) ESR1HTR2AKDM4EALDH1A1ADRA2A
SCHEMBL548414 0.80 HTR2A (0.50) HTR2AMAOBL3MBTL1MEN1KMT2A
SCHEMBL547815 0.80 MAOB (0.50) HTR2AMAOAKCNH2MAOBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697356-B1 PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINES AS PDE 2 INHIBITORS PFIZER PROD INC (US) 2008-02-27 EP disclosed
US-20070135457-A1 Pyrido[2,3-d]pyrimidine-2,4-diamines as pde2 inhibitors PFIZER INC. 2007-06-14 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-20070135457-A1 Pyrido[2,3-d]pyrimidine-2,4-diamines as pde2 inhibitors PDE12, PDE2A, PDE3A TAAR1 983/4885ESR1 3705/4885CYP19A1 558/4885

“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.