SCHEMBL5861658

SCHEMBL5861658

COc1ccc(CC(=O)N2CCc3cccc(N4CCN(C)CC4)c3C2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.60
▸ TMEM97 Q5BJF2 2/20 0.59
▸ SIGMAR1 Q99720 2/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ RAB9A P51151 3/20 0.56
▸ ABCB1 P08183 1/20 0.54
▸ ABCC1 P33527 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.52
▸ GFER P55789 1/20 0.48
▸ TAAR1 Q96RJ0 1/20 0.48
▸ CXCR3 P49682 2/20 0.48
▸ NPC1 O15118 3/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ MAPK1 P28482 1/20 0.47

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 0.88 TMEM97 (0.60) MAPTTMEM97SIGMAR1SMN1; SMN2RAB9A
SCHEMBL5690806 0.87 TMEM97 (0.59) MAPTTMEM97SIGMAR1SMN1; SMN2RAB9A
SCHEMBL5450120 0.85 TMEM97 (0.57) MAPTTMEM97SIGMAR1RAB9ACXCR3
SCHEMBL5446341 0.84 MAPT (0.59) MAPTSMN1; SMN2RAB9AABCB1ABCC1
SCHEMBL5690246 0.82 TMEM97 (0.56) TMEM97SIGMAR1RAB9ACXCR3NPC1
SCHEMBL5860142 0.80 CXCR3 (0.60) TMEM97SIGMAR1ALDH1A1CXCR3
SCHEMBL5452393 0.78 MAPT (0.51) MAPTSMN1; SMN2RAB9AABCB1ABCC1
SCHEMBL5690320 0.78 ENPP2 (0.57) MAPTTMEM97SIGMAR1RAB9ATAAR1
SCHEMBL5861502 0.78 TMEM97 (0.58) TMEM97SIGMAR1RAB9AALDH1A1CXCR3
SCHEMBL5456931 0.78 MAPT (0.50) MAPTSMN1; SMN2RAB9AABCB1ABCC1

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-7101881-B2 Tetrahydroquinolines PFIZER INC (US) 2006-09-05 — — US 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
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 MAPT 1339/4885TMEM97 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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