SCHEMBL22324813

SCHEMBL22324813

CC(c1ccc(C2=CCN(C(=O)O)CC2)cc1)N1CCCC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44
▸ CNR1 P21554 1/20 0.41
▸ QDPR P09417 2/20 0.41
▸ CCR1 P32246 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NAMPT P43490 5/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 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
SCHEMBL22324889 1.00 KCNH2 (0.44) KCNH2HRH3CNR1QDPRCCR1
SCHEMBL22324811 1.00 KCNH2 (0.44) KCNH2HRH3CNR1QDPRCCR1
SCHEMBL22340510 0.85 PDK4 (0.51) CNR1NAMPTCDK7CDK13CDK12
SCHEMBL22340554 0.85 PDK4 (0.51) CNR1NAMPTCDK7CDK13CDK12
SCHEMBL22324772 0.76 ALDH1A1 (0.56) QDPRALDH1A1NPC1SMN1; SMN2ALOX15
SCHEMBL14993970 0.74 KCNH2 (0.46) KCNH2HRH3CNR1QDPRCCR1
SCHEMBL7229539 0.73 ALDH1A1 (0.50) KCNH2HRH3CNR1QDPRCCR1
SCHEMBL4523411 0.73 CYP2D6 (0.50) ALDH1A1SMN1; SMN2KMT2AHPGD
SCHEMBL2132365 0.73 CYP2D6 (0.50) ALDH1A1SMN1; SMN2KMT2AHPGD
SCHEMBL3285780 0.73 CYP2D6 (0.50) ALDH1A1SMN1; SMN2KMT2AHPGD

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-20220144797-A1 20-HETE FORMATION INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-05-12 — — US disclosed
WO-2020163689-A1 20-HETE FORMATION INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-08-13 — — 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-20220144797-A1 20-HETE FORMATION INHIBITORS CYP4A22, ALOX5, ALOX15 KCNH2 4440/4885HRH3 2749/4885CNR1 1352/4885

“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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