SCHEMBL5689952

SCHEMBL5689952

CN1CCN(c2cccc3c2CN(C(=O)CCc2ccc(Cl)cc2)CC3)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 6/20 0.57
▸ TMEM97 Q5BJF2 3/20 0.57
▸ SIGMAR1 Q99720 3/20 0.57
▸ MEN1 O00255 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ NPBWR1 P48145 1/20 0.46
▸ MCHR1 Q99705 1/20 0.46
▸ MC4R P32245 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ DRD2 P14416 3/20 0.43
▸ ME2 P23368 1/20 0.43
▸ ME1 P48163 1/20 0.43
▸ ME3 Q16798 1/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ HTR1A P08908 2/20 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
SCHEMBL5690806 0.89 TMEM97 (0.59) CXCR3TMEM97SIGMAR1MEN1MAPT
SCHEMBL5690320 0.82 ENPP2 (0.57) CXCR3TMEM97SIGMAR1MEN1MAPT
SCHEMBL5690532 0.81 TMEM97 (0.56) CXCR3TMEM97SIGMAR1MEN1MAPT
SCHEMBL5690246 0.80 TMEM97 (0.56) CXCR3TMEM97SIGMAR1KMT2ALMNA
SCHEMBL5690023 0.80 TMEM97 (0.60) CXCR3TMEM97SIGMAR1MEN1MAPT
SCHEMBL5690040 0.80 ERCC1 (0.58) CXCR3TMEM97SIGMAR1MAPTNPBWR1
SCHEMBL5450120 0.79 TMEM97 (0.57) CXCR3TMEM97SIGMAR1MEN1MAPT
SCHEMBL5861502 0.78 TMEM97 (0.58) CXCR3TMEM97SIGMAR1KMT2AALDH1A1
SCHEMBL5861658 0.77 MAPT (0.60) CXCR3TMEM97SIGMAR1MAPTKMT2A
SCHEMBL5861550 0.77 TMEM97 (0.59) CXCR3TMEM97SIGMAR1DRD2HTR1A

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 CXCR3 395/4885TMEM97 264/4885SIGMAR1 545/4885

“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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