SCHEMBL18624767

SCHEMBL18624767

Cc1ccccc1CCNC(=N)NC(=N)N

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.44
MTNR1A P48039 2/20 0.41
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
ALOX12 P18054 1/20 0.40
TP53 P04637 2/20 0.40
F2 P00734 2/20 0.38
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
NR3C2 P08235 1/20 0.36
HTT P42858 1/20 0.36
HPGD P15428 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
CHRM2 P08172 1/20 0.36

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
SCHEMBL10310457 0.87 TAAR1 (0.50) TAAR1MTNR1AKMT2AMAPTMEN1
SCHEMBL30496716 0.87 TAAR1 (0.50) TAAR1MTNR1AKMT2AMAPTMEN1
Hydrochloric Acid SCHEMBL28128859 0.85 TAAR1 (0.48) TAAR1MTNR1AKMT2AMAPTMEN1
SCHEMBL17198747 0.84 KMT2A (0.49) KMT2AMAPTMEN1LMNAPOLB
SCHEMBL17198937 0.82 NPC1 (0.36) TAAR1MTNR1AKMT2AALOX12LMNA
SCHEMBL17198895 0.81 TAAR1 (0.49) TAAR1MTNR1AKMT2A
SCHEMBL14868788 0.81 TAAR1 (0.49) TAAR1MTNR1ATP53LMNAHTT
SCHEMBL17198837 0.81 TAAR1 (0.49) TAAR1MTNR1AKMT2AMEN1HPGD
SCHEMBL18624764 0.80 NR3C2 (0.42) MTNR1AKMT2ATP53F2POLB
SCHEMBL21562488 0.77 GPR84 (0.50) MTNR1AKMT2AMAPTMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220000811-A1 COMPOSITION FOR PROMOTING HAIR GROWTH COMPRISING A GUANINE DERIVATIVE KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2022-01-06 US disclosed
WO-2021230600-A1 ANTICANCER COMPOSITION COMPRISING METABOLIC ANTICANCER DRUG 주식회사 노암 2021-11-18 WO disclosed
US-20170210704-A1 DEUTERO-PHENFORMIN DERIVATIVES ENLIBRIUM, INC. 2017-07-27 US disclosed
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2017-03-16 US disclosed
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2017-03-16 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 (3 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-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF PC, TFAM, PCK2 TAAR1 4576/4885MTNR1A 2571/4885KMT2A 1792/4885
US-20220000811-A1 COMPOSITION FOR PROMOTING HAIR GROWTH COMPRISING A GUANINE DERIVATIVE GDA, GNG2, UNG TAAR1 2012/4885MTNR1A 2599/4885KMT2A 1514/4885
US-20170210704-A1 DEUTERO-PHENFORMIN DERIVATIVES PKD1, GLS, WFS1 TAAR1 4802/4885MTNR1A 2230/4885KMT2A 2002/4885

“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.