SCHEMBL5584438

SCHEMBL5584438

c1cnc2ccc(C3CCNCC3)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.52
▸ POLB P06746 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ QDPR P09417 1/20 0.46
▸ HTR2C P28335 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.45
▸ HSP90AB1 P08238 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ SLC18A3 Q16572 1/20 0.44

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
SCHEMBL29940279 0.89 IDO1 (0.57) IDO1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL28286305 0.89 IDO1 (0.57) IDO1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL15534906 0.88 QDPR (0.46) IDO1QDPRHTR2CALDH1A1CASP1
SCHEMBL17672031 0.85 BACE1 (0.55) IDO1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL31087555 0.84 BACE1 (0.58) IDO1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL11460811 0.84 BACE1 (0.58) IDO1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL5584437 0.83 IDO1 (0.50) IDO1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL25341263 0.81 IDO1 (0.49) IDO1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL22817216 0.81 IDO1 (0.52) IDO1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL28705107 0.81 IDO1 (0.58) IDO1POLBNPC1RAB9ASMN1; SMN2

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
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 — — US disclosed
EP-1188747-B1 PHENOXYPROPYLAMINE COMPOUNDS MITSUBISHI PHARMA CORP (JP) 2005-09-07 — — EP disclosed
US-20040138227-A1 Phenoxypropylamine compounds NISHIYAMA AKIRA 2004-07-15 — — US disclosed
US-6720320-B2 ANTISEROTONINE AGENTS MITSUBISHI PHARMA CORPORATION (JP) 2004-04-13 — — US disclosed
US-20020111358-A1 Phenoxypropylamine compounds MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 — — US disclosed
EP-1188747-A1 PHENOXYPROPYLAMINE COMPOUNDS Mitsubishi Pharma Corporation (JP) 2002-03-20 — — EP 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 (2 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-20040138227-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A IDO1 91/4885POLB 2060/4885NPC1 2906/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A IDO1 91/4885POLB 2060/4885NPC1 2906/4885

“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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