SCHEMBL3052760

SCHEMBL3052760

COC(=O)[C@H](Nc1nc(N2CCN(c3ccc(Cl)cc3)CC2)nc2c1[S@+]([O-])CC2)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.38
▸ LMNA P02545 3/20 0.36
▸ TP53 P04637 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ OPRK1 P41145 1/20 0.35
▸ HTR3A P46098 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.34
▸ P2RX3 P56373 5/20 0.33

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
SCHEMBL3052755 1.00 CCR1 (0.38) CCR1LMNATP53MAPTRXFP1
SCHEMBL3702612 0.85 HRH4 (0.39) CCR1MAPTHTR3AHRH4
SCHEMBL3046737 0.83 HTR3A (0.36) MAPTSMN1; SMN2HTR3AHRH4
SCHEMBL3046733 0.83 HTR3A (0.36) MAPTSMN1; SMN2HTR3AHRH4
SCHEMBL2672027 0.81 HTR3A (0.36) MAPTSMN1; SMN2HTR3AHRH4
SCHEMBL3042561 0.80 KDM4E (0.47) LMNAMAPTSMN1; SMN2HTR3AHRH4
SCHEMBL3059598 0.80 KDM4E (0.47) LMNAMAPTSMN1; SMN2HTR3AHRH4
SCHEMBL3880704 0.80 HTR3A (0.35) SMN1; SMN2HTR3AHRH4P2RX3
Trifluoroacetic Acid SCHEMBL2672176 0.80 GPR6 (0.36) CCR1SMN1; SMN2OPRK1HTR3AHRH4
SCHEMBL4072273 0.78 CETP (0.37) MAPTSMN1; SMN2HTR3AHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222585-A1 PREPARATION OF DIHYDROTHIENO [3, 2-D] PYRIMIDINES AND INTERMEDIATES USED THEREIN BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 — — US claimed
US-8653282-B2 Preparation of dihydrothieno [3,2-D] pyrimidines and intermediates used therein BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 — — US disclosed
US-20100222585-A1 PREPARATION OF DIHYDROTHIENO [3, 2-D] PYRIMIDINES AND INTERMEDIATES USED THEREIN BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 — — 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-20100222585-A1 PREPARATION OF DIHYDROTHIENO [3, 2-D] PYRIMIDINES AND INTERMEDIATES USED THEREIN DPYD, TYMS, DHFR CCR1 993/4885LMNA 4078/4885TP53 633/4885

“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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