SCHEMBL730645

SCHEMBL730645

[CH2]CCCn1nnc2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 8/20 0.70
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
MAPT P10636 2/20 0.60
GLA P06280 1/20 0.58
TSHR P16473 1/20 0.58
EGLN3 Q9H6Z9 2/20 0.57
GRM2 Q14416 1/20 0.54
KDM4E B2RXH2 1/20 0.51
P2RX7 Q99572 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL731716 0.89 SLC9A1 (0.68) SLC9A1NPC1RAB9AMAPTGLA
SCHEMBL14796568 0.89 SLC9A1 (0.79) SLC9A1NPC1RAB9AMAPTGLA
SCHEMBL29482278 0.82 SLC9A1 (0.70) SLC9A1NPC1RAB9AMAPTGLA
SCHEMBL1834794 0.82 SLC9A1 (1.00) SLC9A1NPC1RAB9AMAPTGLA
SCHEMBL318888 0.82 SLC9A1 (1.00) SLC9A1NPC1RAB9AMAPTGLA
SCHEMBL7011474 0.82 SLC9A1 (0.70) SLC9A1NPC1RAB9AMAPTGLA
SCHEMBL7667065 0.82 SLC9A1 (0.70) SLC9A1NPC1RAB9AMAPTGLA
SCHEMBL7667067 0.82 SLC9A1 (0.70) SLC9A1NPC1RAB9AMAPTGLA
SCHEMBL5332501 0.82 SLC9A1 (0.70) SLC9A1NPC1RAB9AMAPTGLA
SCHEMBL730354 0.81 SLC9A1 (0.66) SLC9A1NPC1RAB9AMAPTGLA

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212328-B1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF CHOONGWAE PHARMA CORP (KR) 2017-01-25 EP disclosed
EP-2212330-B1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (3) CHOONGWAE PHARMA CORP (KR) 2015-04-08 EP disclosed
EP-2212329-B1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (1) CHOONGWAE PHARMA CORP (KR) 2014-07-30 EP disclosed
US-8138337-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-03-20 US disclosed
US-8080657-B2 Compounds of reverse turn mimetics and the use thereof CHOONGWAE PHARMA CORPORATION (KR) 2011-12-20 US disclosed
US-8071764-B2 Compounds of reverse turn mimetics and the use thereof (2) CHOONGWAE PHARMA CORPORATION (KR) 2011-12-06 US disclosed
US-8049008-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2011-11-01 US disclosed
US-20100286094-A1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF CHOONGWAE PHARMA CORPORATION (KR) 2010-11-11 US disclosed
US-20100240662-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO CHOONGWAE PHARMA CORPORATION (KR) 2010-09-23 US disclosed
US-20100228027-A1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (2) CHOONGWAE PHARMA CORPORATION (KR) 2010-09-09 US disclosed
US-6476021-B1 Compounds having cGMP-PDE inhibitory effect MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-11-05 US disclosed
CN-1088709-C Amine compound and its acid addition salt ROUSSEL UCLAF (FR) 2002-08-07 CN disclosed
CN-1284075-A Novel compounds having CGMP-PDE inhibitory effect MOCHIDA PHARM CO LTD (JP) 2001-02-14 CN disclosed
EP-1048666-A1 NOVEL COMPOUNDS HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 EP disclosed
CN-1052984-C Novel erythromycin derivatives, process for their preparation and their use as medicaments ROUSSEL UCLAF (FR) 2000-05-31 CN disclosed
US-6066672-A OF GIVEN FORMULA COMPRISING A SUBSTITUTED AMINOALKYL(AMIDO OR ALKYLAMINO)ALKYL(AMIDO OR ALKYLAMINO)ALKYL(ALKENE, ALKYL OR ALKOXYCARBONYL) TAISHO PHARMACEUTICAL CO., LTD. (JP) 2000-05-23 US disclosed
CN-1229082-A Amine compound and its acid addition salt ROUSSEL UCLAF (FR) 1999-09-22 CN disclosed
EP-0882699-A1 AMINO COMPOUNDS AND ANGIOTENSIN IV RECEPTOR AGONISTS TAISHO PHARMACEUTICAL CO. LTD (JP) 1998-12-09 EP disclosed
EP-0838471-A1 PEPTIDE DERIVATIVES AND ANGIOTENSIN IV RECEPTOR AGONIST SAGAMI CHEMICAL RESEARCH CENTER (JP) 1998-04-29 EP disclosed
CN-1151746-A Novel erythromycin derivatives, process for their preparation and their use as medicaments ROUSSEL UCLAF (FR) 1997-06-11 CN 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-20100286094-A1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF MCL1, MYADM, FLT3 SLC9A1 4608/4885NPC1 4428/4885RAB9A 3203/4885
US-20100228027-A1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (2) MCL1, BID, MYADM SLC9A1 4576/4885NPC1 4464/4885RAB9A 2796/4885
US-20100240662-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO WNT1, WNT3, APC SLC9A1 4224/4885NPC1 3162/4885RAB9A 2007/4885

“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.