SCHEMBL17605151

SCHEMBL17605151

C[C@H](NCc1ccccc1)C1CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.53
POLB P06746 1/20 0.46
EPHX2 P34913 3/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
TACR1 P25103 1/20 0.41
IDO1 P14902 1/20 0.41
GRIN2B Q13224 1/20 0.41
CASR P41180 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
SCHEMBL17605050 1.00 SIGMAR1 (0.53) SIGMAR1POLBEPHX2KMT2AMEN1
SCHEMBL17605544 1.00 SIGMAR1 (0.53) SIGMAR1POLBEPHX2KMT2AMEN1
SCHEMBL17605316 0.93 SIGMAR1 (0.50) SIGMAR1POLBEPHX2KMT2AMEN1
SCHEMBL17605508 0.93 SIGMAR1 (0.50) SIGMAR1POLBEPHX2KMT2AMEN1
SCHEMBL9390747 0.93 SIGMAR1 (0.50) SIGMAR1POLBEPHX2KMT2AMEN1
SCHEMBL17604761 0.93 SIGMAR1 (0.50) SIGMAR1POLBEPHX2KMT2AMEN1
SCHEMBL23023176 0.91 EPHX2 (0.50) SIGMAR1POLBEPHX2KMT2ASMN1; SMN2
SCHEMBL8907879 0.91 EPHX2 (0.50) SIGMAR1POLBEPHX2KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL17605202 0.91 SIGMAR1 (0.49) SIGMAR1POLBEPHX2KMT2AMEN1
SCHEMBL17604847 0.84 SIGMAR1 (0.49) SIGMAR1POLBKMT2AMEN1SMN1; 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-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC (US) 2018-07-12 US disclosed
US-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2018-03-15 US disclosed
US-20160235716-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2016-08-18 US disclosed
WO-2016044777-A1 HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2016-03-24 WO disclosed
WO-2016044770-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2016-03-24 WO disclosed
WO-2016044777-A1 HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2016-03-24 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 (3 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-20160235716-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, HDAC9 SIGMAR1 2184/4885POLB 326/4885EPHX2 989/4885
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, KAT2A SIGMAR1 2301/4885POLB 325/4885EPHX2 1239/4885
US-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, HDAC9 SIGMAR1 2184/4885POLB 326/4885EPHX2 989/4885

“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.