SCHEMBL7301028

SCHEMBL7301028

O=C1CCC(N2CCN(Cc3ccccc3)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
RECQL P46063 1/20 0.58
SIGMAR1 Q99720 1/20 0.56
TRPV6 Q9H1D0 5/20 0.53
TSHR P16473 1/20 0.53
ACHE P22303 2/20 0.51
KMT2A Q03164 1/20 0.50
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50

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
SCHEMBL3277753 0.88 RECQL (0.62) SMN1; SMN2RECQLTSHRACHEKMT2A
SCHEMBL4797625 0.87 SIGMAR1 (0.69) SMN1; SMN2RECQLSIGMAR1TRPV6TSHR
SCHEMBL3709310 0.85 RECQL (0.70) SMN1; SMN2RECQLSIGMAR1TRPV6TSHR
SCHEMBL7309138 0.85 TSHR (0.52) SIGMAR1TSHRKMT2ADRD2
SCHEMBL13943667 0.83 SIGMAR1 (0.64) SMN1; SMN2RECQLSIGMAR1TRPV6TSHR
Hydrochloric Acid SCHEMBL3706762 0.83 RECQL (0.68) SMN1; SMN2RECQLSIGMAR1TRPV6TSHR
SCHEMBL2336883 0.82 KDM4E (0.65) SMN1; SMN2RECQLSIGMAR1TRPV6TSHR
Hydrochloric Acid SCHEMBL2331568 0.81 KDM4E (0.63) SMN1; SMN2RECQLSIGMAR1TRPV6TSHR
SCHEMBL7621973 0.80 SMN1; SMN2 (0.51) SMN1; SMN2RECQLSIGMAR1TRPV6TSHR
SCHEMBL2087518 0.80 RECQL (0.60) SMN1; SMN2RECQLSIGMAR1TRPV6TSHR

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160193216-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. 2016-07-07 US disclosed
US-20160193216-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. 2016-07-07 US disclosed
US-20160193216-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. 2016-07-07 US disclosed
US-9212190-B2 IRAK inhibitors and uses thereof NIMBUS IRIS, INC. (US) 2015-12-15 US disclosed
US-9212190-B2 IRAK inhibitors and uses thereof NIMBUS IRIS, INC. (US) 2015-12-15 US disclosed
US-9212190-B2 IRAK inhibitors and uses thereof NIMBUS IRIS, INC. (US) 2015-12-15 US disclosed
EP-2802330-A1 IRAK INHIBITORS AND USES THEREOF Nimbus Iris, Inc. (US) 2014-11-19 EP disclosed
WO-2013106535-A9 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2014-09-04 WO disclosed
WO-2013106535-A9 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2014-09-04 WO disclosed
US-20130231328-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2013-09-05 US disclosed
EP-1023273-B1 CYCLOHEXANE DERIVATIVES DIFUNCTIONALISED IN 1,4 AS LIGANDS OF 5HT1A RECEPTORS PF MEDICAMENT (FR) 2002-06-05 EP disclosed
US-6153611-A AS NON-DOPAMINERGIC ANTIISCHEMIC COMPOUNDS FOR TREATING BRAIN DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-11-28 US disclosed
EP-1023273-A1 CYCLOHEXANE DERIVATIVES DIFUNCTIONALISED IN 1,4 AS LIGANDS OF 5T H1A RECEPTORS PIERRE FABRE MEDICAMENT (FR) 2000-08-02 EP disclosed
WO-1999020613-A1 CYCLOHEXANE DERIVATIVES DIFUNCTIONALISED IN 1,4 AS LIGANDS OF 5T H1A RECEPTORS PIERRE FABRE MEDICAMENT (FR) 1999-04-29 WO disclosed
EP-0546583-B1 Piperazinyl-and piperidinyl-cyclohexanols BRISTOL MYERS SQUIBB CO (US) 1996-05-22 EP disclosed
US-5478828-A Anxiolytic agents BRISTOL-MYERS SQUIBB COMPANY (US) 1995-12-26 US disclosed
EP-0560669-B1 Piperazinyl-and piperidinyl-cyclohexenes and cyclohexanes BRISTOL MYERS SQUIBB CO (US) 1995-06-14 EP disclosed
US-5387593-A Anxiolytic agents BRISTON-MYERS SQUIBB (US) 1995-02-07 US disclosed
EP-0560669-A1 Piperazinyl-and piperidinyl-cyclohexenes and cyclohexanes Bristol-Myers Squibb Company (US) 1993-09-15 EP disclosed
EP-0546583-A1 Piperazinyl-and piperidinyl-cyclohexanols Bristol-Myers Squibb Company (US) 1993-06-16 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-20160193216-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 SMN1; SMN2 2457/4885RECQL 2685/4885SIGMAR1 3795/4885
US-20130231328-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 SMN1; SMN2 2457/4885RECQL 2685/4885SIGMAR1 3795/4885

“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.