SCHEMBL5690023

SCHEMBL5690023

Cc1ccc(CC(=O)N2CCc3cccc(N4CCN(C)CC4)c3C2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 3/20 0.60
▸ SIGMAR1 Q99720 3/20 0.60
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ CXCR3 P49682 4/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ TSHR P16473 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
SCHEMBL5690806 0.90 TMEM97 (0.59) TMEM97SIGMAR1NPC1RAB9AKMT2A
SCHEMBL5861658 0.88 MAPT (0.60) TMEM97SIGMAR1NPC1RAB9AKMT2A
SCHEMBL5450120 0.88 TMEM97 (0.57) TMEM97SIGMAR1NPC1RAB9AKMT2A
SCHEMBL5690246 0.85 TMEM97 (0.56) TMEM97SIGMAR1NPC1RAB9AKMT2A
SCHEMBL5860142 0.83 CXCR3 (0.60) TMEM97SIGMAR1CXCR3KDM4EALDH1A1
SCHEMBL5449891 0.81 GFER (0.47) TMEM97SIGMAR1NPC1KMT2AMEN1
SCHEMBL5861502 0.81 TMEM97 (0.58) TMEM97SIGMAR1RAB9AKMT2ACXCR3
SCHEMBL5689952 0.80 CXCR3 (0.57) TMEM97SIGMAR1KMT2AMEN1LMNA
SCHEMBL5861550 0.80 TMEM97 (0.59) TMEM97SIGMAR1CXCR3
SCHEMBL5446306 0.80 TMEM97 (0.67) TMEM97SIGMAR1NPC1RAB9ACXCR3

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 545/4885NPC1 345/4885

“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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