SCHEMBL4944584

SCHEMBL4944584

CC1(c2cccc(CCCN)c2)OCCO1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAOA P21397 1/20 0.37
HTR6 P50406 1/20 0.36
CYP2A6 P11509 1/20 0.36
NOS1 P29475 1/20 0.36
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 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
SCHEMBL29793660 0.84 SMN1; SMN2 (0.44) NOS1TSHRSMN1; SMN2LMNAGAA
SCHEMBL507495 0.84 SMN1; SMN2 (0.44) NOS1TSHRSMN1; SMN2LMNAGAA
SCHEMBL4946269 0.81 KCNH2 (0.39) TAAR1CYP1A2CYP2D6CYP2C19MAOA
SCHEMBL29793575 0.78 NOS1 (0.41) CYP2D6NOS1TSHRSMN1; SMN2
SCHEMBL29866080 0.78 TSHR (0.39) TSHRSMN1; SMN2LMNAGAAMAPT
SCHEMBL6158666 0.78 TSHR (0.39) TSHRSMN1; SMN2LMNAGAAMAPT
SCHEMBL856097 0.78 OPRM1 (0.40) TSHRSMN1; SMN2LMNAGAAMAPT
SCHEMBL27899553 0.76 TSHR (0.38) CYP1A2TSHRSMN1; SMN2LMNAGAA
SCHEMBL4945517 0.75 TDP1 (0.49) CYP1A2CYP2C19L3MBTL1
SCHEMBL27652959 0.75 TSHR (0.40) TSHRSMN1; SMN2LMNAGAAMAPT

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
CN-100439366-C Pyrido[2,3-d]pyrimidine-2,4-diamines as PDE2 inhibitors PFIZER PROD INC (US) 2008-12-03 CN disclosed
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
CN-1894245-A Pyrido[2,3-d]pyrimidine-2,4-diamines as PDE2 inhibitors PFIZER PROD INC (US) 2007-01-10 CN 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 983/4885CYP1A2 67/4885CYP2D6 158/4885

“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.