SCHEMBL22330373

SCHEMBL22330373

CC(C)(C)c1ccc2cc(Cl)ccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 2/20 0.45
▸ HRH4 Q9H3N8 1/20 0.45
▸ HRH3 Q9Y5N1 2/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ BACE1 P56817 3/20 0.40
▸ CYP2A6 P11509 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ PDE10A Q9Y233 1/20 0.37
▸ PDE3B Q13370 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ NCK1 P16333 1/20 0.36
▸ NR4A2 P43354 1/20 0.36
▸ FBP1 P09467 1/20 0.36

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
SCHEMBL18463931 0.85 HTR3A (0.43) HTR3AHRH4HRH3BACE1CYP2A6
SCHEMBL26167592 0.85 HTR3A (0.43) HTR3AHRH4HRH3BACE1CYP2A6
SCHEMBL10824101 0.82 HTR3A (0.42) HTR3AHRH4HRH3BACE1CYP2A6
SCHEMBL25962423 0.81 NT5E (0.45) HTR3AHRH4HRH3BACE1CYP2A6
SCHEMBL30106726 0.81 NT5E (0.45) HTR3AHRH4HRH3BACE1CYP2A6
SCHEMBL10057584 0.80 CYP1A2 (0.61) HRH3KCNH2BACE1CYP2A6ALDH1A1
SCHEMBL2704185 0.78 KCNH2 (0.42) HRH3KCNH2BACE1ALDH1A1MEN1
SCHEMBL20580625 0.78 HTR3A (0.40) HTR3AHRH4HRH3BACE1CYP2A6
SCHEMBL9220628 0.77 TERT (0.41) HTR3AHRH3KCNH2BACE1ALDH1A1
SCHEMBL10220222 0.77 BACE1 (0.53) HRH3KCNH2BACE1CYP2A6ALDH1A1

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-11142526-B2 Spirocycle compounds and methods of making and using same H. LUNDBECK A/S (DK) 2021-10-12 — — US disclosed
US-20200255427-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2020-08-13 — — 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-20200255427-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME OPRL1, MGLL, OPRK1 HTR3A 2271/4885HRH4 4812/4885HRH3 4858/4885
US-11142526-B2 Spirocycle compounds and methods of making and using same OPRL1, MGLL, OPRK1 HTR3A 2271/4885HRH4 4812/4885HRH3 4858/4885

“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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