SCHEMBL14596904

SCHEMBL14596904

CN1CCN(c2cccc3c2CN(C(=O)Nc2ccc(N4CCOCC4)cc2)CC3)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.58
▸ NPC1 O15118 3/20 0.58
▸ NAMPT P43490 9/20 0.50
▸ HTR1A P08908 4/20 0.50
▸ HTR1D P28221 4/20 0.50
▸ HTR1B P28222 4/20 0.50
▸ TMEM97 Q5BJF2 1/20 0.50
▸ SIGMAR1 Q99720 1/20 0.50
▸ RAD52 P43351 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ TAS1R3 Q7RTX0 1/20 0.47
▸ TAS1R1 Q7RTX1 1/20 0.47
▸ TAS1R2 Q8TE23 1/20 0.47
▸ MAPK1 P28482 1/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ HTR2C P28335 1/20 0.45
▸ HTR6 P50406 1/20 0.45

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
SCHEMBL5690289 0.85 TMEM97 (0.53) RAB9ANPC1TMEM97SIGMAR1SMN1; SMN2
SCHEMBL4806699 0.78 ALDH1A1 (0.54) RAB9ANPC1HTR1BRAD52L3MBTL1
SCHEMBL14596986 0.77 HTR1A (0.60) RAB9ANPC1NAMPTHTR1AHTR1D
SCHEMBL5446306 0.75 TMEM97 (0.67) RAB9ANPC1HTR1AHTR1DHTR1B
SCHEMBL6569460 0.75 GAA (0.49) RAB9ANPC1HTR1BRAD52L3MBTL1
SCHEMBL8023505 0.75 MAOA (0.49) HTR1AHTR1DHTR1BTMEM97SIGMAR1
SCHEMBL14596985 0.74 HTR1A (0.56) RAB9ANPC1NAMPTHTR1AHTR1D
SCHEMBL14263999 0.73 HTR1B (0.73) RAB9ANPC1HTR1BRAD52L3MBTL1
SCHEMBL14370170 0.73 HTR1B (0.73) RAB9ANPC1HTR1BRAD52L3MBTL1
SCHEMBL5354642 0.73 HTR1B (0.73) RAB9ANPC1HTR1BRAD52L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 RAB9A 838/4885NPC1 1664/4885NAMPT 2909/4885

“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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