SCHEMBL4147730

SCHEMBL4147730

C[C@@H](c1ccccc1)N1CCc2c(NC(=O)CC34CC5CC(C)(CC(C)(C5)C3)C4)cccc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.39
KMT2A Q03164 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
EPHX2 P34913 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4148394 1.00 P2RX7 (0.39) P2RX7KMT2ACNR1CNR2ALDH1A1
SCHEMBL4142225 0.89 P2RX7 (0.51) P2RX7
SCHEMBL13243904 0.88 P2RX7 (0.47) P2RX7KMT2AALDH1A1SMN1; SMN2
SCHEMBL13243903 0.88 P2RX7 (0.47) P2RX7KMT2AALDH1A1SMN1; SMN2
SCHEMBL14135163 0.85 P2RX7 (0.35) P2RX7KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL4995800 0.84 P2RX7 (0.37) P2RX7KMT2AALDH1A1SMN1; SMN2
SCHEMBL4140616 0.83 LMNA (0.51) P2RX7KMT2ACNR2ALDH1A1LMNA
SCHEMBL5608843 0.82 ALDH1A1 (0.42) P2RX7KMT2ACNR2ALDH1A1LMNA
SCHEMBL4135226 0.80 LMNA (0.33) P2RX7KMT2ACNR1CNR2ALDH1A1
SCHEMBL4137906 0.79 ALDH1A1 (0.45) P2RX7KMT2AALDH1A1LMNAEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170838-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2009-07-02 US claimed
US-7402596-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2008-07-22 US claimed
US-20070197565-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2007-08-23 US claimed
US-7414071-B2 Methods of treatment with selective EP4 receptor agonists PFIZER INC. (US) 2008-08-19 US disclosed
US-7402596-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2008-07-22 US disclosed
US-7402596-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2008-07-22 US disclosed
EP-1339678-B1 EP4 RECEPTOR SELECTIVE AGONISTS IN THE TREATMENT OF OSTEOPOROSIS PFIZER PROD INC (US) 2007-09-26 EP disclosed
US-20070197565-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2007-08-23 US disclosed
US-20070197565-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2007-08-23 US disclosed
US-7192979-B2 EP4 receptor selective agonist in the treatment of osteoporosis PFIZER INC. (US) 2007-03-20 US disclosed
US-20040259921-A1 EP4 receptor selective agonists in the treatment of osteoporosis PFIZER INC 2004-12-23 US disclosed
EP-1487437-A1 METHODS OF TREATMENT WITH SELECTIVE EP4 RECEPTOR AGONISTS Pfizer Products Inc. (US) 2004-12-22 EP disclosed
US-6747054-B2 FOR THERAPY OF LOW BONE MASS, PARTICULARLY OSTEOPOROSIS, FRAILTY, AN OSTEOPOROTIC FRACTURE, A BONE DEFECT, CHILDHOOD IDIOPATHIC BONE LOSS, ALVEOLAR BONE LOSS, MANDIBULAR BONE LOSS, BONE FRACTURE, OSTEOTOMY PFIZER INC. 2004-06-08 US disclosed
US-20030207925-A1 Methods of treatment with selective EP4 receptor agonists CAMERON KIMBERLY O (US) 2003-11-06 US disclosed
WO-2003077910-A1 METHODS OF TREATMENT WITH SELECTIVE EP4 RECEPTOR AGONISTS PFIZER PRODUCTS INC. (US) 2003-09-25 WO disclosed
EP-1339678-A2 EP4 RECEPTOR SELECTIVE AGONISTS IN THE TREATMENT OF OSTEOPOROSIS Pfizer Products Inc. (US) 2003-09-03 EP disclosed
US-20030149086-A1 EP4 receptor selective agonists in the treatment of osteoporosis CAMERON KIMBERLY O (US) 2003-08-07 US disclosed
US-6552067-B2 For therapy of osteoporosis, frailty, an osteoporotic fracture, a bone defect, childhood idiopathic bone loss, alveolar bone loss, mandibular bone loss, bone fracture, osteotomy, bone loss associated with periodontitis PFIZER INC. 2003-04-22 US disclosed
US-20020065308-A1 EP4 receptor selective agonists in the treatment of osteoporosis LOTUS PHARMACEUTICAL CO., LTD. (JP) 2002-05-30 US disclosed
WO-2002042268-A2 EP4 RECEPTOR SELECTIVE AGONISTS IN THE TREATMENT OF OSTEOPOROSIS PFIZER PRODUCTS INC. (US) 2002-05-30 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 (6 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-20030207925-A1 Methods of treatment with selective EP4 receptor agonists PTGER4, PTGER1, PTGER2 P2RX7 476/4885KMT2A 3662/4885CNR1 132/4885
US-20040259921-A1 EP4 receptor selective agonists in the treatment of osteoporosis PTGER4, PTGER1, PTGER2 P2RX7 91/4885KMT2A 2494/4885CNR1 288/4885
US-20030149086-A1 EP4 receptor selective agonists in the treatment of osteoporosis PTGER4, PTGER1, PTGER2 P2RX7 119/4885KMT2A 2280/4885CNR1 257/4885
US-20070197565-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885KMT2A 4614/4885CNR1 49/4885
US-20020065308-A1 EP4 receptor selective agonists in the treatment of osteoporosis PTGER4, PTGER1, PTGER2 P2RX7 119/4885KMT2A 2280/4885CNR1 257/4885
US-20090170838-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885KMT2A 4614/4885CNR1 49/4885

“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.