SCHEMBL1002852

SCHEMBL1002852

c1ccc(CN2CCC(c3ccccc3)CC2)cc1

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.81
KMT2A Q03164 2/20 0.81
DRD2 P14416 5/20 0.71
CCR5 P51681 1/20 0.66
DRD4 P21917 3/20 0.65
SIGMAR1 Q99720 5/20 0.65
ACHE P22303 1/20 0.65
TP53 P04637 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
TSHR P16473 1/20 0.63
CYP2C19 P33261 1/20 0.63
CCR3 P51677 1/20 0.62
DRD3 P35462 2/20 0.61
SLC18A3 Q16572 1/20 0.61
CHRM4 P08173 2/20 0.59
TMEM97 Q5BJF2 1/20 0.58

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
SCHEMBL22755777 0.91 MEN1 (0.68) MEN1KMT2ADRD2CCR5SIGMAR1
SCHEMBL6023725 0.91 MEN1 (0.68) MEN1KMT2ADRD2CCR5SIGMAR1
SCHEMBL3598146 0.91 MEN1 (0.68) MEN1KMT2ADRD2CCR5SIGMAR1
SCHEMBL7571134 0.90 MEN1 (0.88) MEN1KMT2ADRD2CCR5DRD4
SCHEMBL9070278 0.90 MEN1 (0.67) MEN1KMT2ADRD2CCR5DRD4
SCHEMBL8659907 0.88 MEN1 (0.65) MEN1KMT2ADRD2CCR5DRD4
SCHEMBL8775737 0.88 MEN1 (0.74) MEN1KMT2ADRD2CCR5DRD4
SCHEMBL6701595 0.88 KMT2A (0.65) MEN1KMT2ADRD2CCR5DRD4
SCHEMBL2588250 0.88 MEN1 (0.65) MEN1KMT2ADRD2CCR5DRD4
SCHEMBL19222078 0.88 MEN1 (0.74) MEN1KMT2ADRD2CCR5DRD4

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
CN-105797140-A Stable formulations of an acetyl hyaluronan-degrading enzyme 哈洛齐梅公司 2016-07-27 CN disclosed
CN-103974715-A Stable formulations of hyaluronan degrading enzymes HALOZYME INC 2014-08-06 CN disclosed
WO-2011037771-A1 DIARYLMETHYLAMIDE DERIVATIVE HAVING MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISM MERCK SHARP & DOHME CORP. (US) 2011-03-31 WO disclosed
CN-101981025-A Diarylmethylamide derivative having antagonistic activity on melanin-concentrating hormone receptor BANYU PHARMA CO LTD 2011-02-23 CN disclosed
US-20110015198-A1 DIARYLMETHYLAMIDE DERIVATIVE HAVING MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISM BANYU PHARMACEUTICAL CO., INC. 2011-01-20 US disclosed
EP-0743940-B1 NEW COMPOUNDS WITH ANALGESIC AND LOCAL ANAESTHETIC EFFECT ASTRA AB (SE) 2000-05-03 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-20110015198-A1 DIARYLMETHYLAMIDE DERIVATIVE HAVING MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISM MC1R, MCHR2, MCHR1 MEN1 386/4885KMT2A 377/4885DRD2 164/4885

“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.