SCHEMBL8074159

SCHEMBL8074159

OC[C@@H](c1ccccc1)N1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.66
CYP2C19 P33261 6/20 0.66
CYP3A4 P08684 5/20 0.66
CYP2D6 P10635 5/20 0.66
TSHR P16473 1/20 0.66
CYP2C9 P11712 5/20 0.61
OPRL1 P41146 1/20 0.61
HPGD P15428 1/20 0.61
MAPK1 P28482 1/20 0.61
KCNA5 P22460 4/20 0.57
KCNH2 Q12809 4/20 0.57
KCNE1 P15382 1/20 0.57
GAA P10253 1/20 0.51
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.49
HRH3 Q9Y5N1 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL8074161 1.00 CYP1A2 (0.66) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL13039159 1.00 CYP1A2 (0.66) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL3583059 0.98 OPRL1 (0.63) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL1205831 0.98 OPRL1 (0.63) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL8507420 0.98 OPRL1 (0.63) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL11702651 0.83 OPRL1 (0.49) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL15546040 0.81 CYP1A2 (0.45) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL14035499 0.81 SLC6A4 (0.68) CYP1A2CYP2C19CYP2D6CYP2C9OPRL1
SCHEMBL3838999 0.81 CYP1A2 (0.45) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL5139722 0.81 SLC6A4 (0.68) CYP1A2CYP2C19CYP2D6CYP2C9OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240245670-A1 DOSING REGIMEN AND PHARMACEUTICAL COMBINATION COMPRISING 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES NOVARTIS AG (CH) 2024-07-25 US disclosed
EP-0789021-B1 Hydroxamic acid compounds as opioid kappa receptor agonists PFIZER (US) 2000-10-11 EP disclosed
US-5837717-A ANALGESICS, ANTIINFLAMMATORY AGENTS, ANTITUSSIVE AGENTS, DIURETICS, NEUROPROTECTIVE AGENTS; TREATING BOWEL DISEASE SUCH AS ABDOMINAL PAIN PFIZER INC. (US) 1998-11-17 US disclosed
EP-0789021-A1 Hydroxamic acid compounds as opioid kappa receptor agonists PFIZER INC. (US) 1997-08-13 EP 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-20240245670-A1 DOSING REGIMEN AND PHARMACEUTICAL COMBINATION COMPRISING 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES IKZF1, IKZF2, IKZF3 CYP1A2 2248/4885CYP2C19 4015/4885CYP3A4 1376/4885

“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.