SCHEMBL5253993

SCHEMBL5253993

CC1(c2ccc(Cl)cc2)CCCCC1=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.49
HDAC4 P56524 1/20 0.44
SLC6A4 P31645 10/20 0.41
SLC6A3 Q01959 8/20 0.41
SLC6A2 P23975 2/20 0.40
GRIN1 Q05586 3/20 0.40
GRIN2A Q12879 3/20 0.40
GRIN2D O15399 2/20 0.40
GRIN3B O60391 2/20 0.40
GRIN2B Q13224 2/20 0.40
GRIN2C Q14957 2/20 0.40
GRIN3A Q8TCU5 2/20 0.40
OPRK1 P41145 1/20 0.40
LMNA P02545 1/20 0.40
OPRM1 P35372 1/20 0.40
CACNA1C Q13936 1/20 0.40
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL963045 0.81 MEN1 (0.42) HDAC4SLC6A4GRIN1GRIN2AGRIN2D
SCHEMBL18418763 0.79 CCR2 (0.44) CCR2SLC6A4SLC6A3SLC6A2GRIN1
SCHEMBL8936336 0.78 MAPT (0.46) LMNAKMT2AALDH1A1
SCHEMBL512374 0.76 MEN1 (0.44) CCR2OPRK1OPRM1KMT2AALDH1A1
SCHEMBL17185827 0.76 GRIN1 (0.42) CCR2SLC6A4GRIN1GRIN2AGRIN2D
SCHEMBL27173413 0.75 HDAC4 (0.44) HDAC4SLC6A4SLC6A3SLC6A2GRIN1
SCHEMBL19992375 0.72 GRIN1 (0.63) HDAC4SLC6A4GRIN1GRIN2AGRIN2D
SCHEMBL19479822 0.72 GRIN1 (0.63) HDAC4SLC6A4GRIN1GRIN2AGRIN2D
SCHEMBL18418790 0.72 GPBAR1 (0.42) LMNAMAPK1KMT2AALDH1A1
SCHEMBL17185934 0.72 LMNA (0.51) SLC6A4SLC6A3SLC6A2LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656354-B1 TETRAHYDROQUINAZOLINE DERIVATIVES AS CFR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-09-26 EP disclosed
EP-1833806-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS AstraZeneca AB (SE) 2007-09-19 EP disclosed
US-7223767-B2 Tetrahydroquinazolines and dihydrocyclopentapyrimidines as CRF antagonists ROCHE PALO ALTO LLC (US) 2007-05-29 US disclosed
WO-2006064189-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 WO disclosed
EP-1656354-A1 TETRAHYDROQUINAZOLINE DERIVATIVES AS CFR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP disclosed
US-20050038052-A1 Tetrahydroquinazolines and dihydrocyclopentapyrimidines as CRF antagonists ROCHE PALO ALTO LLC 2005-02-17 US disclosed
WO-2005014557-A1 TETRAHYDROQUINAZOLINE DERIVATIVES AS CFR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2005-02-17 WO 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-20050038052-A1 Tetrahydroquinazolines and dihydrocyclopentapyrimidines as CRF antagonists CRHR1, AVPR2, CRHR2 CCR2 200/4885HDAC4 1823/4885SLC6A4 183/4885

“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.