SCHEMBL8903163

SCHEMBL8903163

O=C(CCl)N1CCC(c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ YAP1 P46937 1/20 0.58
▸ TEAD4 Q15561 1/20 0.58
▸ ALDH1A1 P00352 2/20 0.57
▸ POLB P06746 1/20 0.57
▸ KCNH2 Q12809 1/20 0.52
▸ HRH3 Q9Y5N1 1/20 0.52
▸ HSD11B1 P28845 1/20 0.52
▸ IDO1 P14902 1/20 0.51
▸ CHRM4 P08173 1/20 0.51
▸ ADAMTS5 Q9UNA0 2/20 0.50
▸ BACE1 P56817 1/20 0.50
▸ SIGMAR1 Q99720 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ SPR P35270 1/20 0.50
▸ SLC18A3 Q16572 1/20 0.50
▸ PARP1 P09874 1/20 0.49
▸ MAPK1 P28482 1/20 0.49

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
SCHEMBL945091 0.87 MMP3 (0.54) YAP1TEAD4ALDH1A1POLBNPC1
SCHEMBL17787758 0.85 ALDH1A1 (0.59) ALDH1A1POLBKCNH2HRH3HSD11B1
SCHEMBL8904765 0.83 ALDH1A1 (0.57) ALDH1A1POLBKCNH2HRH3HSD11B1
SCHEMBL4034093 0.83 ALDH1A1 (0.57) ALDH1A1POLBKCNH2HRH3ADAMTS5
SCHEMBL9042120 0.83 ALDH1A1 (0.57) ALDH1A1POLBKCNH2HRH3HSD11B1
SCHEMBL6299758 0.83 ALDH1A1 (0.61) ALDH1A1POLBHSD11B1RAB9ASMN1; SMN2
SCHEMBL1193744 0.81 KCNH2 (0.56) ALDH1A1POLBKCNH2HRH3HSD11B1
SCHEMBL4198757 0.81 NAMPT (0.65) ALDH1A1POLBKCNH2HRH3ADAMTS5
SCHEMBL1531725 0.80 KCNH2 (0.59) ALDH1A1POLBKCNH2HRH3HSD11B1
SCHEMBL27888979 0.80 KCNH2 (0.73) ALDH1A1POLBKCNH2HRH3HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250368608-A1 SELECTIVE HDAC6 INHIBITOR ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2025-12-04 — — US disclosed
WO-2022129256-A1 SELECTIVE HDAC6 INHIBITOR ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2022-06-23 — — WO disclosed
US-5618808-A Benzothiazepine and benzoxazepine derivatives as cholecystokinin receptor antagonists PFIZER, INC. (US) 1997-04-08 — — US disclosed
EP-0648213-A1 BENZOTHIAZEPINE AND BENZOXAZEPINE DERIVATIVES AS CHOLECYSTOKININ RECEPTOR ANTAGONISTS PFIZER INC. (US) 1995-04-19 — — EP disclosed
WO-1994001421-A1 BENZOTHIAZEPINE AND BENZOXAZEPINE DERIVATIVES AS CHOLECYSTOKININ RECEPTOR ANTAGONISTS PFIZER INC. (US) 1994-01-20 — — WO disclosed
US-4914092-A ANTIULCER AGENTS SYNTHELABO (FR) 1990-04-03 — — 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-20250368608-A1 SELECTIVE HDAC6 INHIBITOR HDAC6, HDAC3, HDAC1 YAP1 273/4885TEAD4 3008/4885ALDH1A1 3394/4885

“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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