SCHEMBL425650

SCHEMBL425650

O=C(N1CCc2ccccc2C1)n1cnc(-c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ HTT P42858 2/20 0.50
▸ MAPT P10636 3/20 0.48
▸ TSHR P16473 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ NOTUM Q6P988 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ TAAR1 Q96RJ0 1/20 0.47
▸ PDE4B Q07343 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ CTDSP1 Q9GZU7 1/20 0.45
▸ TDP1 Q9NUW8 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
SCHEMBL426612 0.77 ALDH1A1 (0.51) HPGDSMN1; SMN2HTTMAPTTSHR
SCHEMBL425475 0.76 TACR3 (0.53) HTTMAPTTSHRLMNAALDH1A1
SCHEMBL424684 0.75 ALDH1A1 (0.45) SMN1; SMN2HTTMAPTTSHRLMNA
SCHEMBL27901981 0.75 NOTUM (0.72) HPGDSMN1; SMN2HTTMAPTTSHR
SCHEMBL424291 0.75 RECQL (0.55) SMN1; SMN2HTTMAPTTSHRLMNA
SCHEMBL19293990 0.74 FAAH (0.47) HPGDSMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL425588 0.73 DRD2 (0.54) SMN1; SMN2TSHRLMNAALDH1A1KDM4E
SCHEMBL17460234 0.73 MGLL (0.60) HPGDMAPTLMNAALDH1A1KDM4E
SCHEMBL428124 0.72 USP19 (0.48) —
SCHEMBL424570 0.71 FAAH (0.44) HPGDSMN1; SMN2HTTTSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 — — US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 — — US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 — — US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 — — US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 — — US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 — — US disclosed
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 — — 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 HPGD 247/4885SMN1; SMN2 2818/4885HTT 900/4885

“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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