SCHEMBL4764366

SCHEMBL4764366

CCCCn1c(CN(C)Cc2ccc3c(c2)OCO3)cnc1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HSP90AA1 P07900 2/20 0.42
HSP90AB1 P08238 2/20 0.42
GBA1 P04062 1/20 0.41
KDM4E B2RXH2 3/20 0.40
F2R P25116 2/20 0.40
MAPK1 P28482 1/20 0.40
TSHR P16473 2/20 0.39
ALDH1A1 P00352 3/20 0.39
RAB9A P51151 2/20 0.39
HIF1A Q16665 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
CASP1 P29466 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL647999 0.91 C5AR1 (0.62) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL5134857 0.90 C5AR1 (0.60) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL4766567 0.90 C5AR1 (0.60) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL4765554 0.89 C5AR1 (0.59) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL4770879 0.89 C5AR1 (0.59) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL5136174 0.88 C5AR1 (0.58) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL5136156 0.88 C5AR1 (0.58) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL5073883 0.88 C5AR1 (0.58) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL4765625 0.87 C5AR1 (0.57) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL5136535 0.87 C5AR1 (0.57) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1

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
EP-1322309-B1 HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS NEUROGEN CORP (US) 2008-08-13 EP claimed
US-6723743-B1 TREATING PATIENT SUFFERING FROM RHEUMATOID ARTHRITIS, PSORIASIS, BRONCHIAL ASTHMA, ALZHEIMER'S DISEASE, MYOCARDIAL INFARCTION OR ATHEROSCLEROSIS NEUROGEN CORPORATION 2004-04-20 US claimed
US-20040014782-A1 Combination therapy for the treatment of diseases involving inflammatory components NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2004-01-22 US claimed
EP-1322309-B1 HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS NEUROGEN CORP (US) 2008-08-13 EP disclosed
US-7271270-B2 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2007-09-18 US disclosed
US-7271270-B2 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2007-09-18 US disclosed
US-7271270-B2 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2007-09-18 US disclosed
US-20070027158-A1 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION 2007-02-01 US disclosed
US-20070027158-A1 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION 2007-02-01 US disclosed
US-20070027158-A1 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION 2007-02-01 US disclosed
US-6723743-B1 TREATING PATIENT SUFFERING FROM RHEUMATOID ARTHRITIS, PSORIASIS, BRONCHIAL ASTHMA, ALZHEIMER'S DISEASE, MYOCARDIAL INFARCTION OR ATHEROSCLEROSIS NEUROGEN CORPORATION 2004-04-20 US 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-20070027158-A1 High affinity small molecule C5a receptor modulators C3AR1, C5AR1, C5AR2 C5AR1 2/4885SMN1; SMN2 4522/4885TDP1 4472/4885
US-20040014782-A1 Combination therapy for the treatment of diseases involving inflammatory components C5AR1, C5AR2, C3AR1 C5AR1 1/4885SMN1; SMN2 1069/4885TDP1 2742/4885

“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.