SCHEMBL29688058

SCHEMBL29688058

OCC1CC(n2nnc3c(NC4CC4c4ccc(F)c(F)c4)nc(SCCC(F)(F)F)nc32)C(O)C1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 18/20 1.00
▸ PGR P06401 1/20 0.65
▸ ADORA3 P0DMS8 1/20 0.65
▸ CHRM1 P11229 1/20 0.65
▸ DRD1 P21728 1/20 0.65
▸ TBXA2R P21731 1/20 0.65
▸ PTGS1 P23219 1/20 0.65
▸ SLC6A2 P23975 1/20 0.65
▸ FPR3 P25089 1/20 0.65
▸ PDE4A P27815 1/20 0.65
▸ GPR183 P32249 1/20 0.65
▸ DRD3 P35462 1/20 0.65
▸ SLC6A3 Q01959 1/20 0.65
▸ KCNH2 Q12809 1/20 0.65
▸ PDE3A Q14432 1/20 0.65
▸ TMEM97 Q5BJF2 1/20 0.65
▸ SLC29A1 Q99808 1/20 0.65
▸ P2RY13 Q9BPV8 1/20 0.65
▸ CYP2C9 P11712 1/20 0.60

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
SCHEMBL3603173 1.00 P2RY12 (1.00) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL29688094 0.92 P2RY12 (0.87) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL22228643 0.92 P2RY12 (0.87) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL3606381 0.92 P2RY12 (0.87) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL29583595 0.92 P2RY12 (0.84) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL6999712 0.91 P2RY12 (0.83) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL7001400 0.90 P2RY12 (1.00) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL14777621 0.90 P2RY12 (0.81) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL3608174 0.90 P2RY12 (0.81) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL29687895 0.90 P2RY12 (0.81) P2RY12PGRADORA3CHRM1DRD1

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
US-20220270454-A1 TREATMENT OF KIDNEY DISEASES ASSOCIATED WITH ELEVATED AVP THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2022-08-25 — — US disclosed
US-11354990-B2 Treatment of kidney diseases associated with elevated AVP THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2022-06-07 — — 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 (2 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-11354990-B2 Treatment of kidney diseases associated with elevated AVP AVPR2, PKD1, AVPR1A P2RY12 321/4885PGR 1851/4885ADORA3 85/4885
US-20220270454-A1 TREATMENT OF KIDNEY DISEASES ASSOCIATED WITH ELEVATED AVP AVPR2, PKD1, AVPR1A P2RY12 334/4885PGR 1807/4885ADORA3 81/4885

“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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