SCHEMBL5450120

SCHEMBL5450120

CC(C)c1ccc(CC(=O)N2CCc3cccc(N4CCN(C)CC4)c3C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 3/20 0.57
▸ SIGMAR1 Q99720 3/20 0.57
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ PANK3 Q9H999 6/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ DRD2 P14416 1/20 0.45
▸ CXCR3 P49682 3/20 0.44
▸ LMNA P02545 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ NPBWR1 P48145 1/20 0.41
▸ MCHR1 Q99705 1/20 0.41

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) TMEM97SIGMAR1MEN1KMT2ANPC1
SCHEMBL5690023 0.88 TMEM97 (0.60) TMEM97SIGMAR1MEN1KMT2ANPC1
SCHEMBL5861658 0.85 MAPT (0.60) TMEM97SIGMAR1KMT2ANPC1RAB9A
SCHEMBL5690246 0.84 TMEM97 (0.56) TMEM97SIGMAR1KMT2ANPC1RAB9A
SCHEMBL5453488 0.84 PANK3 (0.45) TMEM97SIGMAR1MEN1KMT2ANPC1
SCHEMBL5465878 0.82 MAPT (0.45) TMEM97SIGMAR1KMT2ANPC1PANK3
SCHEMBL5860142 0.80 CXCR3 (0.60) TMEM97SIGMAR1CXCR3
SCHEMBL5861502 0.80 TMEM97 (0.58) TMEM97SIGMAR1KMT2ARAB9AHTR1A
SCHEMBL5446330 0.80 TMEM97 (0.49) TMEM97SIGMAR1MEN1KMT2ANPC1
SCHEMBL5689952 0.79 CXCR3 (0.57) TMEM97SIGMAR1MEN1KMT2AHTR1A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020183011-A1 HTR1D INHIBITORS AND USES THEREOF IN THE TREATMENT OF CANCER INSTITUT CURIE (FR) 2020-09-17 — — WO disclosed
US-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 — — US disclosed
US-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 — — US disclosed
US-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 — — US disclosed
EP-1451172-A1 THERAPEUTIC ISOQUINOLINE COMPOUNDS AstraZeneca AB (SE) 2004-09-01 — — EP disclosed
WO-2003037887-A1 THERAPEUTIC ISOQUINOLINE COMPOUNDS ASTRAZENECA AB (SE) 2003-05-08 — — WO 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-20070010526-A1 Therapeutic isoquinoline compounds HTR1B, HTR1D, HTR1A TMEM97 896/4885SIGMAR1 1001/4885MEN1 385/4885

“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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