SCHEMBL5690289

SCHEMBL5690289

CN1CCN(c2cccc3c2CN(C(=O)c2ccc(N4CCOCC4)cc2)CC3)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 2/20 0.53
▸ SIGMAR1 Q99720 2/20 0.53
▸ CXCR3 P49682 2/20 0.52
▸ MTHFD2 P13995 1/20 0.48
▸ ALDH1A1 P00352 6/20 0.46
▸ HPGD P15428 4/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ PIK3CA P42336 2/20 0.45
▸ PIK3CD O00329 1/20 0.45
▸ AKT1 P31749 1/20 0.45
▸ PIK3CB P42338 1/20 0.45
▸ PIK3CG P48736 1/20 0.45
▸ MAPT P10636 5/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42

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
SCHEMBL14596904 0.85 RAB9A (0.58) TMEM97SIGMAR1ALDH1A1NPC1RAB9A
SCHEMBL5690532 0.84 TMEM97 (0.56) TMEM97SIGMAR1CXCR3ALDH1A1HPGD
SCHEMBL5446306 0.78 TMEM97 (0.67) TMEM97SIGMAR1CXCR3NPC1RAB9A
SCHEMBL8023505 0.77 MAOA (0.49) TMEM97SIGMAR1PIK3CAPIK3CDAKT1
SCHEMBL14571502 0.76 CXCR3 (0.55) TMEM97SIGMAR1CXCR3MTHFD2ALDH1A1
SCHEMBL6820453 0.76 DRD2 (0.50) PIK3CAPIK3CDAKT1PIK3CBPIK3CG
SCHEMBL7024053 0.76 DRD2 (0.50) PIK3CAPIK3CDAKT1PIK3CBPIK3CG
SCHEMBL3830330 0.76 DRD2 (0.50) PIK3CAPIK3CDAKT1PIK3CBPIK3CG
SCHEMBL7023935 0.74 KCNH2 (0.48) HRH3KMT2AMEN1CYP2C19
SCHEMBL7024691 0.74 KCNH2 (0.48) HRH3KMT2AMEN1CYP2C19

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
US-7101881-B2 Tetrahydroquinolines PFIZER INC (US) 2006-09-05 — — US claimed
EP-1641760-A2 NOVEL TETRAHYDROQUINOLINES Pfizer Products Inc. (US) 2006-04-05 — — EP claimed
WO-2004108682-A2 TETRAHYDROISOQUINOLINES AS ANTAGONISTS OF THE 5HT1B RECEPTOR PFIZER PRODUCTS INC. (US) 2004-12-16 — — WO claimed
US-20040254193-A1 Novel tetrahydroquinolines PFIZER INC 2004-12-16 — — US claimed
US-7101881-B2 Tetrahydroquinolines PFIZER INC (US) 2006-09-05 — — US disclosed
EP-1641760-A2 NOVEL TETRAHYDROQUINOLINES Pfizer Products Inc. (US) 2006-04-05 — — EP disclosed
WO-2004108682-A2 TETRAHYDROISOQUINOLINES AS ANTAGONISTS OF THE 5HT1B RECEPTOR PFIZER PRODUCTS INC. (US) 2004-12-16 — — WO disclosed
US-20040254193-A1 Novel tetrahydroquinolines PFIZER INC 2004-12-16 — — 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-20040254193-A1 Novel tetrahydroquinolines HTR5A, SLC18A2, HTR3B TMEM97 264/4885SIGMAR1 545/4885CXCR3 395/4885

“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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