SCHEMBL5254413

SCHEMBL5254413

CCCC1(CCC)CCCC(C(=O)OC)C1=O

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ DNTT P04053 2/20 0.34
▸ FKBP1A P62942 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ POLA1 P09884 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ TLR4 O00206 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CHRM2 P08172 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ CHRM5 P08912 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 1/20 0.31

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
SCHEMBL4124937 0.83 DNTT (0.35) TSHRALOX12DNTTFKBP1AALDH1A1
SCHEMBL29329319 0.78 CYP1A2 (0.36) TSHRALOX12DNTTFKBP1AALDH1A1
SCHEMBL3236730 0.76 CYP1A2 (0.37) TSHRALDH1A1CYP1A2HIF1AKDM4E
SCHEMBL3339309 0.76 CYP1A2 (0.37) TSHRALDH1A1CYP1A2HIF1AKDM4E
SCHEMBL3399318 0.74 CYP1A2 (0.36) ALDH1A1POLBCYP1A2HIF1AKDM4E
SCHEMBL4121606 0.74 CYP1A2 (0.36) ALDH1A1CYP1A2HIF1AKDM4E
SCHEMBL8430039 0.74 CYP1A2 (0.36) ALDH1A1CYP1A2HIF1AKDM4E
SCHEMBL4123910 0.72 FKBP1A (0.40) TSHRFKBP1AALDH1A1CYP1A2KDM4E
SCHEMBL4128790 0.71 CYP1A2 (0.36) TSHRDNTTALDH1A1CYP1A2HIF1A
SCHEMBL3813382 0.71 KDM4E (0.37) TSHRALDH1A1POLBCYP1A2HIF1A

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
EP-1656354-B1 TETRAHYDROQUINAZOLINE DERIVATIVES AS CFR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-09-26 — — EP disclosed
EP-1656354-B1 TETRAHYDROQUINAZOLINE DERIVATIVES AS CFR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-09-26 — — EP disclosed
US-7223767-B2 Tetrahydroquinazolines and dihydrocyclopentapyrimidines as CRF antagonists ROCHE PALO ALTO LLC (US) 2007-05-29 — — US disclosed
US-7223767-B2 Tetrahydroquinazolines and dihydrocyclopentapyrimidines as CRF antagonists ROCHE PALO ALTO LLC (US) 2007-05-29 — — US disclosed
US-7223767-B2 Tetrahydroquinazolines and dihydrocyclopentapyrimidines as CRF antagonists ROCHE PALO ALTO LLC (US) 2007-05-29 — — US 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 TSHR 270/4885ALOX12 4315/4885DNTT 4155/4885

“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.

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