SCHEMBL2985384

SCHEMBL2985384

CCNC(=O)CC(N)c1ccc(OCc2ccccc2)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.53
MTNR1B P49286 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
HPGD P15428 2/20 0.53
TNF P01375 2/20 0.53
F2 P00734 3/20 0.52
F10 P00742 3/20 0.52
PRSS1 P07477 3/20 0.52
F7 P08709 3/20 0.52
PRSS2 P07478 1/20 0.52
F3 P13726 1/20 0.52
PRSS3 P35030 1/20 0.52
KMT2A Q03164 3/20 0.49
POLB P06746 2/20 0.49
MEN1 O00255 2/20 0.49
GAA P10253 1/20 0.49
PKM P14618 1/20 0.49
CTSV O60911 1/20 0.48

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
SCHEMBL2992009 0.89 F2 (0.54) MTNR1AMTNR1BSMN1; SMN2NPC1RAB9A
SCHEMBL2997643 0.87 F2 (0.55) MTNR1AMTNR1BSMN1; SMN2NPC1RAB9A
SCHEMBL2989926 0.87 KMT2A (0.62) MTNR1AMTNR1BSMN1; SMN2NPC1RAB9A
SCHEMBL2997844 0.87 F2 (0.55) MTNR1AMTNR1BSMN1; SMN2NPC1RAB9A
SCHEMBL2998414 0.86 F2 (0.56) MTNR1AMTNR1BSMN1; SMN2NPC1RAB9A
SCHEMBL2987998 0.83 APP (0.63) MTNR1AMTNR1BSMN1; SMN2NPC1RAB9A
SCHEMBL2994376 0.83 APP (0.54) MTNR1AMTNR1BSMN1; SMN2NPC1RAB9A
SCHEMBL2990764 0.83 SMPD1 (0.55) SMN1; SMN2NPC1RAB9AHPGDTNF
SCHEMBL2995618 0.82 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AHPGDTNF
SCHEMBL2997847 0.81 F2 (0.48) MTNR1AMTNR1BSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2083011-B1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TIANJIN HEMAY BIO TECH CO LTD (CN) 2014-06-04 EP disclosed
US-8466191-B2 Pyrroline derivatives against cell releasing tumor necrosis factor, preparation methods and uses thereof ZHANG HESHENG (CN) 2013-06-18 US disclosed
US-20100179189-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF ZHANG HESHENG 2010-07-15 US disclosed
EP-2083011-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF Tian Jin Hemay Bio-Tech Co., Ltd. (CN) 2009-07-29 EP 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-20100179189-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TNF, IL1B, NOS1 MTNR1A 545/4885MTNR1B 826/4885SMN1; SMN2 2069/4885

“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.