SCHEMBL5338313

SCHEMBL5338313

Cc1nn(-c2ccccc2)c(C)c1CN1CCC(=O)CC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMO Q99835 5/20 0.59
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
TSHR P16473 1/20 0.48
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
P2RX7 Q99572 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
OPRM1 P35372 1/20 0.46
CCR5 P51681 1/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43

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
SCHEMBL6974262 0.75 PRMT5 (0.52) SMOMEN1KMT2ANPC1RAB9A
SCHEMBL2485236 0.74 CCR5 (0.48) SMOMEN1KMT2ANPC1RAB9A
SCHEMBL4753305 0.74 NPC1 (0.53) SMONPC1RAB9ATSHRTDP1
SCHEMBL3322956 0.73 SMO (0.59) SMOMEN1KMT2ANPC1RAB9A
SCHEMBL12770960 0.73 MEN1 (0.68) SMOMEN1KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL2486769 0.72 CCR5 (0.69) SMOCYP3A4OPRM1CCR5
SCHEMBL18894670 0.72 COMT (0.64) SMO
SCHEMBL9961742 0.72 SMO (0.57) SMOMEN1KMT2ANPC1RAB9A
SCHEMBL11250227 0.71 MEN1 (0.66) MEN1KMT2ANPC1RAB9ATSHR
Hydrochloric Acid SCHEMBL3320989 0.71 SMO (0.56) SMOMEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285552-B2 Drugs containing triazaspiro[5.5]undecane derivatives as the active ingredient ONO PHARMACEUTICALS CO., LTD. (JP) 2007-10-23 US disclosed
US-7262193-B2 Triazaspiro[5.5]undecane derivative and pharmaceutical composition comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
CN-1291988-C Triazaspiro [5,5] undecane derivatrives and drugs containing the same as active ingredient ONO PHARMACEUTICAL CO (JP) 2006-12-27 CN disclosed
US-7053090-B2 Triazaspiro[5.5]undecane derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-30 US disclosed
EP-1619194-A2 Triazaspiro[5.5]undecane derivatives and pharmaceutical composition comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-25 EP disclosed
US-20050215557-A1 Triazaspiro[5.5]undecane derivative and pharmaceutical composition comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. 2005-09-29 US disclosed
CN-1533390-A Pharmaceutical composition comprising triazaspiro [5.5] undecane derivative as active ingredient СҰҩƷ��ҵ��ʽ���� 2004-09-29 CN disclosed
CN-1518551-A Triazaspiro [5,5] undecane derivatrives and drugs containing the same as active ingredient СҰҩƷ��ҵ��ʽ���� 2004-08-04 CN disclosed
US-20040106619-A1 Drugs containing triazaspiro[5.5]undecane derivatives as the active ingredient ONO PHARMACEUTICALS CO., LTD. (JP) 2004-06-03 US disclosed
US-20040082584-A1 Triazaspiro[5.5]undecane derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 US disclosed
EP-1378509-A1 DRUGS CONTAINING TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-01-07 EP disclosed
EP-1378510-A1 TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-01-07 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 (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-20040106619-A1 Drugs containing triazaspiro[5.5]undecane derivatives as the active ingredient NONO, NAA15, USO1 SMO 4255/4885MEN1 4685/4885KMT2A 2233/4885
US-20040082584-A1 Triazaspiro[5.5]undecane derivatives and drugs containing the same as the active ingredient ACKR3, CXCR5, CCL11 SMO 4702/4885MEN1 4856/4885KMT2A 4257/4885
US-20050215557-A1 Triazaspiro[5.5]undecane derivative and pharmaceutical composition comprising the same as active ingredient ACKR3, CCL11, CCR7 SMO 4725/4885MEN1 4836/4885KMT2A 4058/4885

“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.