SCHEMBL6358868

SCHEMBL6358868

Nn1c(S)nnc1C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 6/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 2/20 0.36
GFER P55789 1/20 0.36
ATM Q13315 1/20 0.35
USP2 O75604 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL11807010 0.98 NPSR1 (0.44) NPSR1RAB9AALDH1A1POLBHPGD
SCHEMBL11806820 0.91 NPSR1 (0.35) NPSR1RAB9AALDH1A1POLBMAPT
SCHEMBL2957126 0.75 NPSR1 (0.45) NPSR1RAB9AALDH1A1POLBHPGD
SCHEMBL1544893 0.73 ALDH1A1 (0.46) ALDH1A1POLBHPGDMAPT
SCHEMBL19281550 0.73 HSD11B1 (0.33) ALDH1A1HPGD
SCHEMBL19520381 0.72 SMN1; SMN2 (0.50) NPSR1ALDH1A1POLBHPGD
SCHEMBL11721146 0.72 ATM (0.37) ATM
SCHEMBL390783 0.71 ALDH1A1 (0.41) ALDH1A1HPGDMAPTHSD17B10
SCHEMBL10965169 0.69 ATM (0.32) ATM
SCHEMBL19281543 0.69 HSD11B1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160083391-A1 TRICYCLIC PIPERAZINE DERIVATIVE SUNOVION PHARMACEUTICALS INC (US) 2016-03-24 US disclosed
US-20160083391-A1 TRICYCLIC PIPERAZINE DERIVATIVE SUNOVION PHARMACEUTICALS INC (US) 2016-03-24 US disclosed
US-20160083391-A1 TRICYCLIC PIPERAZINE DERIVATIVE SUNOVION PHARMACEUTICALS INC (US) 2016-03-24 US disclosed
US-20050096320-A1 Triazolotriazinones and the use thereof BAYER PHARMACEUTICALS CORPORATION (US) 2005-05-05 US disclosed
EP-1261609-B1 TRIAZOLOTRIAZINONES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2004-11-03 EP disclosed
US-6683081-B2 INHIBITORS OF CYCLIC GUANOSINE 3',5'-MONOPHOPHATE METABOLIZING PHOSPHODIESTERASES BAYER AKTIENGESELLSCHAFT (DE) 2004-01-27 US disclosed
US-6683081-B2 INHIBITORS OF CYCLIC GUANOSINE 3',5'-MONOPHOPHATE METABOLIZING PHOSPHODIESTERASES BAYER AKTIENGESELLSCHAFT (DE) 2004-01-27 US disclosed
US-6683081-B2 INHIBITORS OF CYCLIC GUANOSINE 3',5'-MONOPHOPHATE METABOLIZING PHOSPHODIESTERASES BAYER AKTIENGESELLSCHAFT (DE) 2004-01-27 US disclosed
US-20030212064-A1 Triazolotriazinones and the use thereof BAYER AKTIENGESELLSCHAFT (DE) 2003-11-13 US disclosed
EP-1261609-A1 TRIAZOLOTRIAZINONES AND THE USE THEREOF Bayer Aktiengesellschaft (DE) 2002-12-04 EP disclosed
WO-2001047929-A1 TRIAZOLOTRIAZINONES AND THE USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2001-07-05 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-20050096320-A1 Triazolotriazinones and the use thereof CYP3A5, CYP3A7, CYP51A1 NPSR1 1209/4885RAB9A 3881/4885ALDH1A1 2303/4885
US-20030212064-A1 Triazolotriazinones and the use thereof CYP3A5, CYP3A7, CYP51A1 NPSR1 994/4885RAB9A 3921/4885ALDH1A1 1586/4885
US-20160083391-A1 TRICYCLIC PIPERAZINE DERIVATIVE PDE3A, PDE5A, PDE2A NPSR1 2961/4885RAB9A 3002/4885ALDH1A1 247/4885

“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.