SCHEMBL649235

SCHEMBL649235

CCCc1c(CCCCCN)c(-c2ccccc2)nn1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 7/20 0.46
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
USP2 O75604 2/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GMNN O75496 1/20 0.40
LMNA P02545 1/20 0.40
ESR1 P03372 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL6305239 0.82 KMT2A (0.46) CNR1CNR2KMT2AMEN1USP2
SCHEMBL648265 0.80 KMT2A (0.47) CNR1CNR2KMT2AMEN1USP2
SCHEMBL6617222 0.80 KMT2A (0.38) CNR1CNR2KMT2AMEN1USP2
SCHEMBL649236 0.77 CNR1 (0.41) TLR8CNR1CNR2KMT2AMEN1
SCHEMBL649234 0.77 KMT2A (0.39) CNR1CNR2KMT2AMEN1USP2
SCHEMBL6683019 0.77 CNR2 (0.41) CNR1CNR2KMT2AMEN1USP2
SCHEMBL23400347 0.74 KMT2A (0.49) CNR1CNR2KMT2AMEN1USP2
SCHEMBL6683026 0.74 KMT2A (0.39) CNR1CNR2KMT2AMEN1USP2
SCHEMBL27574894 0.73 CYP2C9 (0.58) CNR1CNR2KMT2AMEN1USP2
SCHEMBL14586257 0.72 MEN1 (0.65) KMT2AMEN1LMNACYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
EP-1322309-B1 HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS NEUROGEN CORP (US) 2008-08-13 EP disclosed
US-20070208048-A1 New Aryl Imidazoles and Related Compounds as C5a Receptor Modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-09-06 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
US-6884815-B1 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2005-04-26 US disclosed
US-20040116424-A1 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION 2004-06-17 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 (1 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-20070208048-A1 New Aryl Imidazoles and Related Compounds as C5a Receptor Modulators C3AR1, C5AR1, C5AR2 TLR8 416/4885CNR1 20/4885CNR2 23/4885

“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.