SCHEMBL2184615

SCHEMBL2184615

CN1CCN(CCCc2cc[c]cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.62
MC4R P32245 1/20 0.45
CCR3 P51677 1/20 0.45
POLB P06746 1/20 0.45
NMT1 P30419 1/20 0.44

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
SCHEMBL3593088 0.81 SIGMAR1 (0.89) SIGMAR1MC4RCCR3POLB
SCHEMBL998374 0.81 SIGMAR1 (0.70) SIGMAR1POLB
SCHEMBL6293319 0.80 SIGMAR1 (0.59) SIGMAR1MC4RCCR3POLB
SCHEMBL742562 0.79 MC4R (0.66) SIGMAR1MC4R
SCHEMBL28249031 0.79 SIGMAR1 (0.62) SIGMAR1NMT1
SCHEMBL11149095 0.79 SIGMAR1 (0.62) SIGMAR1
SCHEMBL1509508 0.79 SIGMAR1 (0.71) SIGMAR1
SCHEMBL2056151 0.76 SIGMAR1 (1.00) SIGMAR1MC4RCCR3
SCHEMBL27896085 0.76 SIGMAR1 (0.54) SIGMAR1
SCHEMBL28158380 0.76 SIGMAR1 (0.63) SIGMAR1CCR3POLB

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-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-07 US claimed
WO-2010014798-A2 PYRIMIDOTRIAZINEDIONES AND PYRIMIDOPYRIMIDINEDIONES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-02-04 WO claimed
US-20230181524-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF NATURAL MEDICINE INSTITUTE OF ZHEJIANG YANGSHENGTANG CO., LTD. (CN) 2023-06-15 US disclosed
CN-115427032-A Pharmaceutical composition and use thereof 浙江养生堂天然药物研究所有限公司 2022-12-02 CN disclosed
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-07 US disclosed
WO-2010014798-A2 PYRIMIDOTRIAZINEDIONES AND PYRIMIDOPYRIMIDINEDIONES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-02-04 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 (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-20230181524-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF TCF4, TCF7L2, CTNNB1 SIGMAR1 1702/4885MC4R 869/4885CCR3 952/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR SIGMAR1 4519/4885MC4R 1674/4885CCR3 1700/4885

“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.