SCHEMBL5690806

SCHEMBL5690806

CN1CCN(c2cccc3c2CN(C(=O)Cc2ccc(Cl)cc2)CC3)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 3/20 0.59
▸ SIGMAR1 Q99720 3/20 0.59
▸ NPBWR1 P48145 1/20 0.53
▸ MCHR1 Q99705 1/20 0.53
▸ GFER P55789 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ CXCR3 P49682 5/20 0.47
▸ ME2 P23368 1/20 0.45
▸ ME1 P48163 1/20 0.45
▸ ME3 Q16798 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL5690023 0.90 TMEM97 (0.60) TMEM97SIGMAR1GFERNPC1RAB9A
SCHEMBL5450120 0.89 TMEM97 (0.57) TMEM97SIGMAR1NPBWR1MCHR1NPC1
SCHEMBL5689952 0.89 CXCR3 (0.57) TMEM97SIGMAR1NPBWR1MCHR1CXCR3
SCHEMBL5690246 0.89 TMEM97 (0.56) TMEM97SIGMAR1NPC1RAB9ACXCR3
SCHEMBL5861658 0.87 MAPT (0.60) TMEM97SIGMAR1GFERNPC1RAB9A
SCHEMBL5690040 0.85 ERCC1 (0.58) TMEM97SIGMAR1NPBWR1MCHR1CXCR3
SCHEMBL5690320 0.84 ENPP2 (0.57) TMEM97SIGMAR1RAB9ACXCR3MEN1
SCHEMBL5861502 0.84 TMEM97 (0.58) TMEM97SIGMAR1RAB9ACXCR3KMT2A
SCHEMBL5690532 0.83 TMEM97 (0.56) TMEM97SIGMAR1CXCR3MEN1KMT2A
SCHEMBL5860142 0.82 CXCR3 (0.60) TMEM97SIGMAR1CXCR3ALDH1A1KDM4E

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 545/4885NPBWR1 663/4885

“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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