SCHEMBL19971626

SCHEMBL19971626

O=C(O)C1[C@H]2CN(Cc3ccccc3)C[C@@H]12

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 3/20 0.61
S1PR1 P21453 1/20 0.61
LTA4H P09960 1/20 0.60
FUCA1 P04066 2/20 0.56
GRIN2B Q13224 1/20 0.49
SIGMAR1 Q99720 1/20 0.48
GBA1 P04062 1/20 0.47

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
SCHEMBL8919911 1.00 S1PR5 (0.61) S1PR5S1PR1LTA4HFUCA1GRIN2B
SCHEMBL19971625 1.00 S1PR5 (0.61) S1PR5S1PR1LTA4HFUCA1GRIN2B
SCHEMBL9128323 1.00 S1PR5 (0.61) S1PR5S1PR1LTA4HFUCA1GRIN2B
Hydrochloric Acid SCHEMBL8917504 0.98 S1PR5 (0.59) S1PR5S1PR1LTA4HFUCA1GRIN2B
SCHEMBL9126852 0.86 S1PR5 (0.54) S1PR5S1PR1LTA4HFUCA1GRIN2B
SCHEMBL9126843 0.86 S1PR5 (0.54) S1PR5S1PR1LTA4HFUCA1GRIN2B
SCHEMBL16759827 0.82 FUCA1 (0.64) S1PR5S1PR1FUCA1SIGMAR1GBA1
SCHEMBL16775256 0.82 FUCA1 (0.64) S1PR5S1PR1FUCA1SIGMAR1GBA1
SCHEMBL29215851 0.82 POLB (0.58) S1PR5S1PR1FUCA1
SCHEMBL19971613 0.82 S1PR5 (0.50) S1PR5S1PR1LTA4HFUCA1

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
WO-2025224085-A1 COMPOUNDS CAPABLE OF ACTING ON S1R AS WELL AS ON SEH AND USES THEREOF UNIVERSITAT DE BARCELONA (ES) 2025-10-30 WO disclosed
US-20240101544-A1 INHIBITORS OF QPCTL AND QPCT 858 THERAPEUTICS, INC. 2024-03-28 US disclosed
WO-2024020517-A1 3-(6-PYRIDIN-3-YL)-2-[4-(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDIN-1-YL]BENZONITRILE DERIVATIVES AND SIMILAR COMPOUNDS AS QPCTL AND QPCT INHIBITORS FOR THE TREATMENT OF CANCER 858 THERAPEUTICS, INC. (US) 2024-01-25 WO disclosed
US-20190092781-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2019-03-28 US disclosed
US-20190023716-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2019-01-24 US disclosed
US-20180237449-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2018-08-23 US disclosed
US-9944613-B2 Fumagillol spirocyclic compounds and fused bicyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2018-04-17 US disclosed
US-20180079737-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2018-03-22 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 (5 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-20180079737-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP S1PR5 2786/4885S1PR1 2867/4885LTA4H 499/4885
US-20180237449-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP S1PR5 2786/4885S1PR1 2867/4885LTA4H 499/4885
US-20190092781-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP S1PR5 2786/4885S1PR1 2867/4885LTA4H 499/4885
US-20190023716-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP S1PR5 2786/4885S1PR1 2867/4885LTA4H 499/4885
US-20240101544-A1 INHIBITORS OF QPCTL AND QPCT ACAT1, ACAT2, LCAT S1PR5 3852/4885S1PR1 3727/4885LTA4H 4074/4885

“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.